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Ligand clusters for UniProt code P00918

Ligand clusters for P00918: Carbonic anhydrase 2 from Homo sapiens

Top 6 (of 25) ligand clusters
Cluster 1.
639 ligand types
2836 ligands
 Cluster 2.
20 ligand types
67 ligands
 Cluster 3.
8 ligand types
16 ligands
 Cluster 4.
9 ligand types
39 ligands
 Cluster 5.
5 ligand types
38 ligands
 Cluster 6.
5 ligand types
49 ligands
Representative protein: 6nj4A  
JSmol
 

Structures

PDB   Schematic diagram
6nj4A    
6s9zA    
6sacA    
6sayA    
6equA    
 more ...

 

 Cluster 1 contains 639 ligand types (of which only 20 are listed. Click for all)

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Ligand Description


 
1. Ligand: BCT × 2
Bicarbonate ion
PDB codes: 1bic(A), 1lgd(A).

_Zn
 
2. Metal: _ZN × 946
PDB codes: 12ca(A), 1a42(A), 1am6(A), 1avn(A), 1bcd(A), 1bic(A), 1bn1(A), 1bn3(A), 1bn4(A), 1bnm(A), 1bnn(A), 1bnq(A), 1bnt(A), 1bnu(A), 1bnv(A), 1bnw(A), 1bv3(A), 1ca2(A), 1ca3(A), 1cai(A), 1caj(A), 1cak(A), 1cal(A), 1cam(A), 1cay(A), 1caz(A), 1ccs(A), 1cct(A), 1ccu(A), 1cil(A), 1cim(A), 1cin(A), 1cnc(A), 1cng(A), 1cnh(A), 1cni(A), 1cnj(A), 1cnk(A), 1cnw(A), 1cnx(A), 1cny(A), 1cva(A), 1cvb(A), 1cvc(A), 1cvd(A), 1cve(A), 1cvh(A), 1dca(A), 1dcb(A), 1eou(A), 1f2w(A), 1fql(A), 1fqm(A), 1fr7(A), 1g0e(A), 1g0f(A), 1g1d(A), 1g3z(A), 1g45(A), 1g46(A), 1g48(A), 1g4j(A), 1g4o(A), 1g52(A), 1g53(A), 1g54(A), 1h4n(A), 1h9n(A), 1h9q(A), 1hca(A), 1hea(A), 1heb(A), 1hec(A), 1hed(A), 1i8z(A), 1i90(A), 1i91(A), 1i9l(A), 1i9m(A), 1i9n(A), 1i9o(A), 1i9p(A), 1i9q(A), 1if4(A), 1if5(A), 1if6(A), 1if7(A), 1if8(A), 1if9(A), 1kwq(A), 1kwr(A), 1lg5(A), 1lg6(A), 1lgd(A), 1lug(A), 1lzv(A), 1moo(A), 1mua(A), 1okl(A), 1okm(A), 1okn(A), 1oq5(A), 1ray(A), 1raz(A), 1t9n(A), 1tb0(X), 1tbt(X), 1te3(X), 1teu(X), 1tg3(A), 1tg9(A), 1th9(A), 1thk(A), 1ttm(A), 1uga(A), 1ugb(A), 1ugc(A), 1ugd(A), 1uge(A), 1ugf(A), 1ugg(A), 1xeg(A), 1xev(A), 1xpz(A), 1xq0(A), 1yda(A), 1ydb(A), 1ydc(A), 1ydd(A), 1yo0(A), 1yo1(A), 1yo2(A), 1z9y(A), 1ze8(A), 1zfk(A), 1zfq(A), 1zge(A), 1zgf(A), 1zh9(A), 1zsb(A), 1zsc(A), 2abe(A), 2aw1(A), 2ax2(A), 2ca2(A), 2cba(A), 2cbb(A), 2cbc(A), 2cbd(A), 2eu2(A), 2eu3(A), 2ez7(A), 2f14(A), 2fmg(A), 2fmz(A), 2fnk(A), 2fnm(A), 2fnn(A), 2foq(A), 2fos(A), 2fou(A), 2fov(A), 2gd8(A), 2geh(A), 2h15(A), 2h4n(A), 2hd6(A), 2hkk(A), 2hl4(A), 2hnc(A), 2hoc(A), 2ili(A), 2nno(A), 2nns(A), 2nnv(A), 2nwo(A), 2nwp(A), 2nwy(A), 2nwz(A), 2nxr(A), 2nxs(A), 2nxt(A), 2o4z(A), 2osf(A), 2osm(A), 2pou(A), 2pov(A), 2pow(A), 2q1b(A), 2q1q(A), 2q38(A), 2qo8(A), 2qoa(A), 2qp6(A), 2vva(X), 2vvb(X), 2wd2(A), 2wd3(A), 2weg(A), 2weh(A), 2wej(A), 2weo(A), 2x7t(A), 2x7u(A), 3b4f(A), 3bet(A), 3bl0(A), 3bl1(A), 3c7p(A), 3ca2(A), 3caj(A), 3cyu(A), 3d8w(A), 3d92(A), 3d9z(A), 3daz(A), 3dbu(A), 3dc3(A), 3dc9(A), 3dcc(A), 3dcs(A), 3dcw(A), 3dd0(A), 3dd8(A), 3dv7(A), 3dvb(A), 3dvc(A), 3dvd(A), 3efi(A), 3eft(A), 3f4x(A), 3f8e(A), 3ffp(X), 3gz0(A), 3hfp(A), 3hkn(A), 3hkq(A), 3hkt(A), 3hku(A), 3hlj(A), 3hs4(A), 3ibi(A), 3ibl(A), 3ibn(A), 3ibu(A), 3ieo(A), 3igp(A), 3k2f(A), 3k34(A), 3k7k(A), 3kig(A), 3kkx(A), 3kne(A), 3ks3(A), 3kwa(A), 3l14(A), 3m04(A), 3m14(A), 3m1j(A), 3m1k(A), 3m1q(A), 3m1w(A), 3m2n(A), 3m2x(A), 3m2y(A), 3m2z(A), 3m3x(A), 3m40(A), 3m5e(A), 3m5s(A), 3m5t(A), 3m67(A), 3m96(A), 3m98(A), 3mhc(A), 3mhi(A), 3mhl(A), 3mhm(A), 3mho(A), 3ml2(A), 3mmf(A), 3mna(A), 3mnh(A), 3mni(A), 3mnj(A), 3mnk(A), 3mnu(A), 3mwo(A), 3myq(A), 3mzc(A), 3n0n(A), 3n2p(A), 3n3j(A), 3n4b(A), 3nb5(A), 3ni5(A), 3nj9(A), 3oik(A), 3oil(A), 3oim(A), 3oku(A), 3okv(A), 3oy0(A), 3oyq(A), 3oys(A), 3p3h(A), 3p3j(A), 3p44(A), 3p4v(A), 3p55(A), 3p58(A), 3p5a(A), 3p5l(A), 3pjj(A), 3po6(A), 3pyk(A), 3qyk(A), 3r16(A), 3r17(B), 3rg3(A), 3rg4(A), 3rge(A), 3rj7(A), 3rld(A), 3ryj(B), 3ryv(B), 3ryx(B), 3ryy(A), 3ryz(A), 3rz0(B), 3rz1(B), 3rz5(A), 3rz7(A), 3rz8(A), 3s71(B), 3s72(B), 3s73(B), 3s74(B), 3s75(B), 3s76(A), 3s77(B), 3s78(B), 3s8x(A), 3s9t(A), 3sap(A), 3sax(A), 3sbh(A), 3sbi(A), 3t5u(A), 3t5z(A), 3t82(A), 3t83(A), 3t84(A), 3t85(A), 3tmj(A), 3tvn(X), 3tvo(X), 3u3a(X), 3u45(X), 3u47(A), 3u7c(A), 3v2j(A), 3v2m(A), 3v3f(A), 3v3g(B), 3v3h(B), 3v3i(B), 3v3j(A), 3v5g(A), 3v7x(A), 3vbd(A), 3zp9(A), 4bcw(A), 4bf1(A), 4bf6(A), 4ca2(A), 4cac(A), 4cq0(A), 4dz7(A), 4dz9(A), 4e3d(A), 4e3f(A), 4e3g(A), 4e3h(A), 4e49(A), 4e4a(A), 4e5q(A), 4fik(A), 4fl7(A), 4fpt(A), 4frc(A), 4fu5(A), 4fvn(A), 4fvo(A), 4g0c(A), 4gl1(X), 4hba(A), 4hew(A), 4hey(A), 4hez(A), 4hf3(A), 4ht0(A), 4idr(X), 4ilx(A), 4ito(A), 4itp(A), 4iwz(A), 4js6(A), 4jsa(A), 4jss(A), 4jsw(A), 4jsz(A), 4k0s(A), 4k0t(A), 4k0z(A), 4k13(A), 4k1q(A), 4kap(A), 4kni(A), 4knj(A), 4kuv(A), 4kuw(A), 4kuy(A), 4kv0(A), 4l5u(A), 4l5v(A), 4l5w(A), 4lhi(A), 4lp6(A), 4m2r(A), 4m2u(A), 4m2v(A), 4m2w(A), 4mdg(A), 4mdl(A), 4mdm(A), 4mlt(A), 4mlx(A), 4mo8(A), 4mty(A), 4n0x(B), 4n16(A), 4pq7(A), 4pxx(A), 4pyx(A), 4pyy(A), 4pzh(A), 4q06(A), 4q07(A), 4q08(A), 4q09(A), 4q49(A), 4q6d(A), 4q6e(A), 4q78(A), 4q7p(A), 4q7s(A), 4q7v(A), 4q7w(A), 4q81(A), 4q83(A), 4q87(A), 4q8x(A), 4q8y(A), 4q8z(A), 4q90(A), 4q99(A), 4q9y(A), 4qef(A), 4qiy(A), 4qjm(A), 4qk1(A), 4qk2(A), 4qk3(A), 4qsa(A), 4qsb(A), 4qsi(A), 4qtl(A), 4qy3(A), 4r59(A), 4r5a(A), 4r5b(A), 4rfc(A), 4rfd(A), 4rh2(A), 4riu(A), 4riv(A), 4rn4(A), 4rux(A), 4ruy(A), 4ruz(A), 4wl4(A), 4ww6(A), 4xe1(A), 4y0j(A), 4ygj(A), 4ygn(A), 4yvy(A), 4ywp(A), 4yx4(A), 4yxi(A), 4yxo(A), 4yxu(A), 4yyt(A), 4z0q(A), 4z1e(A), 4z1j(A), 4z1k(A), 4z1n(A), 4zao(A), 4zwi(A), 4zwx(A), 4zwy(A), 4zwz(A), 4zx0(A), 4zx1(A), 5a6h(A), 5amd(A), 5amg(A), 5aml(A), 5bnl(A), 5bru(A), 5brv(A), 5brw(A), 5byi(A), 5c8i(A), 5ca2(A), 5cac(A), 5cjl(A), 5clu(A), 5dog(A), 5doh(A), 5drs(A), 5dsk(A), 5dsl(A), 5dsm(A), 5e28(A), 5e2k(A), 5e2r(A), 5e2s(A), 5eh5(A), 5eh7(A), 5eh8(A), 5ehe(A), 5ehv(A), 5ehw(A), 5eij(A), 5ekh(A), 5ekj(A), 5ekm(A), 5eoi(A), 5fdc(A), 5fdi(A), 5flo(A), 5flp(A), 5flq(A), 5flr(A), 5fls(A), 5flt(A), 5fng(A), 5fnh(A), 5fni(A), 5fnj(A), 5fnk(A), 5fnl(A), 5fnm(A), 5g01(A), 5g03(A), 5g0b(A), 5g0c(A), 5gmn(A), 5j8z(A), 5jdv(B), 5je7(B), 5jeg(B), 5jeh(B), 5jep(B), 5jes(B), 5jg3(B), 5jg5(B), 5jgs(B), 5jgt(B), 5jmz(A), 5jn3(A), 5jn7(A), 5jq0(A), 5jqt(A), 5l3o(A), 5l6k(A), 5l6t(A), 5l70(A), 5l9e(A), 5ljq(A), 5ljt(A), 5ll4(A), 5ll8(A), 5llc(A), 5lle(A), 5llg(A), 5llh(A), 5lmd(A), 5lvs(A), 5m78(A), 5mjn(A), 5n0d(A), 5n0e(A), 5n1r(A), 5n1s(A), 5n24(A), 5n25(A), 5nea(A), 5nee(A), 5nxg(A), 5nxi(A), 5nxm(A), 5nxo(A), 5nxp(A), 5nxv(A), 5nxw(A), 5ny1(A), 5ny3(A), 5ny6(A), 5nya(A), 5o07(A), 5ogn(A), 5ogo(A), 5ogp(A), 5sz0(A), 5sz1(A), 5sz2(A), 5sz3(A), 5sz4(A), 5sz5(A), 5sz6(A), 5sz7(A), 5t71(A), 5t72(A), 5t74(A), 5t75(A), 5tfx(A), 5th4(A), 5thi(A), 5thj(A), 5thn(A), 5ti0(A), 5txy(A), 5ty1(A), 5ty8(A), 5ty9(A), 5tya(A), 5u0d(A), 5u0e(A), 5u0f(A), 5u0g(A), 5uln(A), 5umc(A), 5vgy(A), 5w8b(A), 5wex(A), 5wg7(A), 5wgp(A), 5wlr(A), 5wlt(A), 5wlu(A), 5wlv(A), 5y2r(A), 5y2s(A), 5yui(A), 5yuj(A), 5yuk(A), 5zxw(A), 6b00(A), 6b4d(A), 6b59(A), 6b5a(A), 6bbs(A), 6bc9(A), 6bcc(A), 6c7w(A), 6c7x(A), 6ca2(A), 6ceh(A), 6cjv(A), 6d1l(A), 6d1m(A), 6e8p(A), 6e8x(A), 6e91(A), 6e92(A), 6ebe(A), 6ecz(A), 6eda(A), 6eea(A), 6eeh(A), 6eeo(A), 6equ(A), 6fji(A), 6fjj(A), 6g3q(A), 6g6t(A), 6gcy(A), 6gdc(A), 6gm9(A), 6got(A), 6gxb(A), 6gxe(A), 6h29(A), 6h2z(A), 6h33(A), 6h34(A), 6h3q(A), 6hqx(A), 6hr3(A), 6hx5(A), 6hxd(A), 6hzx(A), 6i0w(A), 6i1u(A), 6i2f(A), 6i3e(A), 6ic2(A), 6klz(A), 6km0(A), 6km1(A), 6km2(A), 6km3(A), 6km4(A), 6km5(A), 6km6(A), 6luw(A), 6lux(A), 6luy(A), 6luz(A), 6mbv(A), 6mby(A), 6nj2(A), 6nj3(A), 6nj4(A), 6nj5(A), 6nj6(A), 6nlv(A), 6nm0(A), 6odz(A), 6oe0(A), 6oe1(A), 6oti(A), 6otk(A), 6otm(A), 6oto(A), 6otp(A), 6otq(A), 6oub(A), 6oud(A), 6oue(A), 6ouf(A), 6ouh(A), 6oui(A), 6ouj(A), 6ouk(A), 6oum(A), 6pgx(A), 6q3o(A), 6q9t(A), 6qfu(A), 6qfv(A), 6qfw(A), 6qfx(A), 6ql1(A), 6ql2(A), 6ql3(A), 6r6f(A), 6r6j(A), 6rfh(A), 6rg3(A), 6rg4(A), 6rg5(A), 6rh4(A), 6rhj(A), 6rhk(A), 6rig(A), 6rit(A), 6rjj(A), 6rkn(A), 6rl9(A), 6rm1(A), 6rmp(A), 6rmx(A), 6rmy(A), 6rnp(A), 6rob(A), 6roe(A), 6rof(A), 6rqi(A), 6rrg(A), 6rri(A), 6rs5(A), 6rsz(A), 6rvf(A), 6rvk(A), 6rvl(A), 6rw1(A), 6rzx(A), 6s03(A), 6s9g(A), 6s9z(A), 6sac(A), 6sas(A), 6say(A), 6sb7(A), 6sbh(A), 6sbl(A), 6sbm(A), 6sd7(A), 6sdh(A), 6sdi(A), 6sdj(A), 6sdl(A), 6sds(A), 6sey(A), 6sfq(A), 6sfu(A), 6sg0(A), 6sg6(A), 6sx9(A), 6syb(A), 6sys(A), 6t4n(A), 6t4o(A), 6t4p(A), 6t5c(A), 6t7u(A), 6t81(A), 6t9z(A), 6u4q(A), 6u4t(A), 6ufb(A), 6ufc(A), 6ufd(A), 6ugn(A), 6ugo(A), 6ugp(A), 6ugq(A), 6ugr(A), 6ugz(A), 6uh0(A), 6ux1(A), 6uzu(A), 6vj3(A), 6vkg(A), 6wka(A), 6wq4(A), 6wq5(A), 6wq7(A), 6wq8(A), 6wq9(A), 6xvh(A), 6xxt(X), 6yh4(A), 6yh5(A), 6yh6(A), 6yh7(A), 6yh8(A), 6yh9(A), 6yha(A), 6yhb(A), 6yhc(A), 6yj3(A), 6ykc(A), 6ykh(A), 6yma(A), 6ymb(A), 6yo2(A), 6yo4(A), 6yo7(A), 6yoi(A), 6yok(A), 6yol(A), 6ypw(A), 6yqt(A), 6yqu(A), 6yri(A), 6yzj(A), 6yzk(A), 6yzl(A), 6yzm(A), 6yzn(A), 6yzo(A), 6yzp(A), 6yzq(A), 6yzr(A), 6yzs(A), 6yzt(A), 6yzu(A), 6yzv(A), 6yzw(A), 6yzx(A), 6z04(A), 7bi5(A), 7ca2(A), 7jnr(A), 7jnv(A), 7jnw(A), 7jnx(A), 7jnz(A), 7jo0(A), 7jo1(A), 7jo2(A), 7jo3(A), 7job(A), 7joc(A), 7k6i(A), 7k6j(A), 7k6k(A), 7k6l(A), 7k6t(A), 7k6u(A), 7k6x(A), 7k6z(A), 8ca2(A), 9ca2(A).


 
3. Ligand: GOL × 298
glycerin
Glycerol
PDB codes: 1lug(A), 1ze8(A), 1zfk(A), 1zfq(A), 1zge(A), 2aw1(A), 2f14(A), 2foq(A), 2fou(A), 2hd6(A), 2hl4(A), 2hnc(A), 2hoc(A), 2nno(A), 2nns(A), 2nnv(A), 2qo8(A), 2qoa(A), 2weg(A), 2weh(A), 2wej(A), 2weo(A), 3bet(A), 3c7p(A), 3caj(A), 3d92(A), 3d93(A), 3hkn(A), 3hkq(A), 3hs4(A), 3igp(A), 3k34(A), 3ks3(A), 3ml2(A), 3mmf(A), 3mna(A), 3mnu(A), 3mzc(A), 3n0n(A), 3n2p(A), 3n3j(A), 3n4b(A), 3nb5(A), 3oik(A), 3oim(A), 3oku(A), 3oy0(A), 3oyq(A), 3oys(A), 3p44(A), 3p55(A), 3po6(A), 3r16(A), 3r17(B), 3t5u(A), 3tvo(X), 3u3a(X), 3u45(X), 3u47(A), 3u7c(A), 3v7x(A), 3vbd(A), 3zp9(A), 4bf6(A), 4e3d(A), 4e3g(A), 4fik(A), 4fl7(A), 4fpt(A), 4hba(A), 4idr(X), 4ilx(A), 4ito(A), 4itp(A), 4iwz(A), 4kuv(A), 4kuw(A), 4kuy(A), 4kv0(A), 4l5u(A), 4l5v(A), 4l5w(A), 4mty(A), 4n16(A), 4pq7(A), 4q99(A), 4q9y(A), 4qef(A), 4qk2(A), 4r59(A), 4r5a(A), 4r5b(A), 4rh2(A), 4riu(A), 4rn4(A), 4rux(A), 4ruy(A), 4ruz(A), 4xe1(A), 4yx4(A), 4yxi(A), 4yxo(A), 4yxu(A), 4yyt(A), 4zwy(A), 4zx0(A), 5cjl(A), 5clu(A), 5dsk(A), 5dsl(A), 5dsm(A), 5dso(A), 5dsp(A), 5dsq(A), 5dsr(A), 5e28(A), 5e2k(A), 5e2r(A), 5ehv(A), 5ehw(A), 5eij(A), 5ekh(A), 5ekj(A), 5ekm(A), 5fdc(A), 5fdi(A), 5flq(A), 5flr(A), 5flt(A), 5fnj(A), 5fnl(A), 5j8z(A), 5jn7(A), 5l3o(A), 5l6k(A), 5l6t(A), 5l70(A), 5l9e(A), 5ljq(A), 5ljt(A), 5ll8(A), 5lvs(A), 5n0d(A), 5n1r(A), 5n1s(A), 5n24(A), 5n25(A), 5nea(A), 5nee(A), 5sz1(A), 5sz2(A), 5sz6(A), 5tfx(A), 5th4(A), 5thi(A), 5thj(A), 5thn(A), 5uln(A), 5umc(A), 5w8b(A), 5wex(A), 5wg7(A), 5wlr(A), 5wlt(A), 5wlv(A), 5y2r(A), 5y2s(A), 5yui(A), 5yuj(A), 5yuk(A), 6b00(A), 6b4d(A), 6b59(A), 6ceh(A), 6d1l(A), 6d1m(A), 6g3q(A), 6got(A), 6h2z(A), 6h33(A), 6h34(A), 6hzx(A), 6klz(A), 6km0(A), 6km1(A), 6km2(A), 6km3(A), 6km4(A), 6km5(A), 6km6(A), 6luu(A), 6luv(A), 6luw(A), 6lux(A), 6luy(A), 6luz(A), 6lv1(A), 6lv2(A), 6lv3(A), 6lv4(A), 6lv5(A), 6lv6(A), 6lv7(A), 6lv8(A), 6lv9(A), 6lva(A), 6mbv(A), 6mby(A), 6nj2(A), 6nj6(A), 6nm0(A), 6odz(A), 6oe0(A), 6oe1(A), 6otk(A), 6otm(A), 6oub(A), 6ouf(A), 6ouh(A), 6oui(A), 6ouj(A), 6ouk(A), 6oum(A), 6pgx(A), 6rg3(A), 6rg4(A), 6rhj(A), 6rhk(A), 6sx9(A), 6syb(A), 6sys(A), 6ufb(A), 6ufc(A), 6ufd(A), 6ux1(A), 6vj3(A), 6wq4(A), 6wq8(A), 6wq9(A), 6xxt(X), 6yqu(A), 6yri(A), 7jnr(A), 7jnv(A), 7jnw(A), 7jnx(A), 7jnz(A), 7joc(A), 7k6i(A), 7k6j(A), 7k6k(A).


 
4. Ligand: DMS × 239
dimethyl sulfoxide
Dimethyl sulfoxide
PDB codes: 2weo(A), 3m1j(A), 3m2n(A), 3m3x(A), 3m40(A), 3m5e(A), 3m67(A), 3m96(A), 3m98(A), 3mhi(A), 3mhl(A), 3mhm(A), 3mho(A), 3myq(A), 3n2p(A), 3oim(A), 3oku(A), 3okv(A), 3oy0(A), 3oyq(A), 3oys(A), 3p5a(A), 3p5l(A), 3qyk(A), 3r16(A), 3r17(B), 3rj7(A), 3rz1(B), 3rz5(A), 3rz8(A), 3s72(B), 3s76(A), 3s8x(A), 3s9t(A), 3sap(A), 3sax(A), 3sbh(A), 3sbi(A), 3v2m(A), 4dz7(A), 4dz9(A), 4fpt(A), 4frc(A), 4fu5(A), 4fvn(A), 4fvo(A), 4ht0(A), 4ilx(A), 4ito(A), 4itp(A), 4iwz(A), 4k0t(A), 4k0z(A), 4k13(A), 4kni(A), 4knj(A), 4lhi(A), 4mlt(A), 4mlx(A), 4pyx(A), 4pzh(A), 4q06(A), 4q07(A), 4q08(A), 4q09(A), 4q6d(A), 4q6e(A), 4q7p(A), 4q7v(A), 4q7w(A), 4q81(A), 4q87(A), 4q8x(A), 4q90(A), 4q99(A), 4q9y(A), 4qiy(A), 4qjm(A), 4qsa(A), 4qsb(A), 4qsi(A), 4qtl(A), 4ww6(A), 4zwi(A), 4zwx(A), 4zwz(A), 4zx1(A), 5a6h(A), 5cjl(A), 5doh(A), 5drs(A), 5ehe(A), 5eij(A), 5flp(A), 5flr(A), 5fls(A), 5fnh(A), 5fni(A), 5fnj(A), 5fnk(A), 5fnl(A), 5jmz(A), 5jn3(A), 5jn7(A), 5l6k(A), 5ll4(A), 5llc(A), 5lle(A), 5llg(A), 5llh(A), 5m78(A), 5ogo(A), 5sz0(A), 5sz1(A), 5sz2(A), 5sz3(A), 5sz4(A), 5sz5(A), 5sz7(A), 5th4(A), 5thj(A), 5ti0(A), 5wex(A), 5wlv(A), 6b4d(A), 6b59(A), 6g6t(A), 6gxe(A), 6i3e(A), 6mby(A), 6nlv(A), 6nm0(A), 6oto(A), 6otq(A), 6oud(A), 6oui(A), 6ouj(A), 6ql1(A), 6ql2(A), 6ql3(A), 6r6f(A), 6r6j(A), 6rm1(A), 6rmp(A), 6rmx(A), 6rmy(A), 6rof(A), 6s9z(A), 6sac(A), 6sas(A), 6say(A), 6sb7(A), 6sbl(A), 6sbm(A), 6sdh(A), 6sdi(A), 6sdl(A), 6sds(A), 6sfq(A), 6sfu(A), 6sg6(A), 6t4n(A), 6t4o(A), 6t4p(A), 6t5c(A), 6t9z(A), 6uzu(A), 6yh4(A), 6yh5(A), 6yh6(A), 6yh7(A), 6yh8(A), 6yha(A), 6yhc(A), 6yma(A), 6yqt(A), 6yqu(A), 7jnv(A), 7jnw(A), 7jnx(A), 7jnz(A), 7jo1(A), 7jo3(A), 7job(A), 7k6i(A), 7k6j(A), 7k6k(A), 7k6u(A), 7k6x(A), 7k6z(A).


 
5. Ligand: TRS × 16
tromethamine
2-Amino-2-Hydroxymethyl-Propane-1,3-Diol
PDB codes: 1h4n(A), 5t71(A), 5t72(A), 5t74(A), 6oti(A), 6pdv(A), 6pea(A), 6sb7(A), 6ugp(A), 6ux1(A), 6wq4(A), 6wq5(A), 6wq7(A), 6wq8(A), 6wq9(A).


 
6. Ligand: AZM × 14
acetazolamide
5-Acetamido-1,3,4-Thiadiazole-2-Sulfonamide
PDB codes: 1yda(A), 1ydb(A), 1ydd(A), 1zsb(A), 2h4n(A), 3dc3(A), 3hs4(A), 3v2j(A), 3v2m(A), 4g0c(A), 4k0s(A), 6qeb(A), 6yma(A).


 
7. Ligand: BEZ × 7
benzoic acid
Benzoic acid
PDB codes: 2q1b(A), 2q38(A), 3f8e(A), 3ffp(X), 3ieo(A), 6ql3(A), 6yh5(A).


 
8. Ligand: ETS × 5
dorzolamide
(4s-Trans)-4-(Ethylamino)-5,6-Dihydro-6-Methyl-4h- Thieno(2,3-B)thiopyran-2-Sulfonamide-7,7-Dioxide
PDB codes: 1cil(A), 4k13(A), 4m2u(A), 4m2w(A), 6bc9(A).


 
9. Ligand: MZM × 4
methazolamide
N-(3-Methyl-5-Sulfamoyl-1,3,4-Thiadiazol-2(3h)- Ylidene)acetamide
PDB codes: 3daz(A), 3dcs(A), 4k0z(A), 5c8i(A).


 
10. Ligand: ACY × 3
acetic acid
Acetic acid
PDB codes: 1cay(A), 1caz(A), 5fnk(A).


 
11. Ligand: BZ1 × 3
brinzolamide
(+)-4-Ethylamino-3,4-Dihydro-2-(Methoxy)propyl-2h- Thieno[3,2-E]-1,2-Thiazine-6-Sulfonamide-1,1-
Dioxide
PDB codes: 4m2r(A), 4m2v(A), 6bbs(A).


 
12. Ligand: RCO × 3
resorcinol
Resorcinol
PDB codes: 4e49(A),


 
13. Ligand: SAL × 3
salicylic acid
2-Hydroxybenzoic acid
PDB codes: 5m78(A), 6ux1(A),


 
14. Ligand: SAN × 3
sulfanilamide
Sulfanilamide
PDB codes: 6rl9(A),


 
15. Ligand: CHD × 2
cholic acid
Cholic acid
PDB codes: 4n16(A), 4pxx(A).


 
16. Ligand: FUN × 2
furosemide
5-(Aminosulfonyl)-4-Chloro-2-[(2-Furylmethyl) amino]benzoic acid
PDB codes: 1z9y(A), 6sg0(A).


 
17. Ligand: 010 × 1
benzyl alcohol
Phenylmethanol
PDB code: 7bi5(A).


 
18. Ligand: ALE × 1
epinephrine
L-Epinephrine
PDB code: 2hkk(A).


 
19. Ligand: AMJ × 1
lacosamide
N~2~-Acetyl-N-Benzyl-O-Methyl-L-Serinamide
PDB code: 3ieo(A).


 
20. Ligand: CEL × 1
celecoxib
4-[5-(4-Methylphenyl)-3-(Trifluoromethyl)-1h-Pyrazol-1- Yl]benzenesulfonamide
PDB code: 1oq5(A).

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 Cluster 2 contains 20 ligand types

Selection shortcuts: select all/none invert selection.
Ligand Description


 
1. Ligand: GLC × 19
d-glucose
Alpha-D-Glucopyranose
PDB codes: 6gdc(A), 6gm9(A), 6i0w(A), 6i1u(A), 6rh4(A), 6rig(A), 6rit(A), 6rjj(A), 6rkn(A), 6rl9(A), 6rnp(A), 6rob(A), 6roe(A), 6rqi(A), 6rrg(A), 6rri(A), 6rs5(A), 6sbh(A), 6sey(A).


 
2. Ligand: DMS × 14
dimethyl sulfoxide
Dimethyl sulfoxide
PDB codes: 4k0t(A), 4q90(A), 4zwi(A), 4zwx(A), 4zx1(A), 5jn3(A), 5jn7(A), 5sz2(A), 5sz6(A), 5thj(A), 6uzu(A).


 
3. Ligand: GOL × 3
glycerin
Glycerol
PDB codes: 2x7u(A), 4itp(A), 5fnh(A).


 
4. Ligand: CIT × 1
citric acid
Citric acid
PDB code: 5nxi(A).

_Zn
 
5. Metal: _ZN × 1
PDB code: 6q3o(A).


 
6. Ligand: BGC × 13
Beta-D-Glucopyranose
PDB codes: 6gm9(A), 6i0w(A), 6rh4(A), 6rit(A), 6rkn(A), 6rl9(A), 6rnp(A), 6rob(A), 6roe(A), 6rqi(A), 6rrg(A), 6sbh(A), 6sey(A).


 
7. Ligand: IMD × 2
Imidazole
PDB codes: 4hf3(A),


 
8. Ligand: SO4 × 2
Sulfate ion
PDB codes: 5g03(A), 5g0b(A).


 
9. Ligand: 1MZ × 1
1-Methylimidazole
PDB code: 4hez(A).


 
10. Ligand: 3W3 × 1
4-(Allyloxy)benzenesulfonamide
PDB code: 4rux(A).


 
11. Ligand: 4J8 × 1
4-Methylbenzenesulfonamide
PDB code: 4yxi(A).


 
12. Ligand: 4JC × 1
4-Ethylbenzenesulfonamide
PDB code: 4yxo(A).


 
13. Ligand: 5EF × 1
3-[(1s)-2,3-Dihydro-1h-Inden-1-Ylamino]-2,5,6- Trifluoro-4-[(2-
Hydroxyethyl) sulfonyl]benzenesulfonamide
PDB code: 6yh7(A).


 
14. Ligand: EDO × 1
1,2-Ethanediol
PDB code: 4q09(A).


 
15. Ligand: K4N × 1
4-Oxidanylbenzenesulfonamide
PDB code: 6rig(A).


 
16. Ligand: PG4 × 1
Tetraethylene glycol
PDB code: 6sac(A).


 
17. Ligand: R92 × 1
4-Chloranyl-~{N}-[(1~{s})-1-(2-Hydroxyphenyl)ethyl]-3- Sulfamoyl-Benzamide
PDB code: 5ny6(A).


 
18. Ligand: RYY × 1
N-Propyl-4-Sulfamoylbenzamide
PDB code: 3ryy(A).


 
19. Ligand: WWO × 1
3-(Benzylamino)-2,5,6-Trifluoro-4-[(2-Hydroxyethyl) sulfonyl]benzenesulfonamide
PDB code: 6yhc(A).


 
20. Ligand: YIP × 1
5-[(3-Chloranylphenoxy)methyl]-1,2,4-Triaza-3- Azanidacyclopenta-1,4-Diene
PDB code: 5fnh(A).

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 Cluster 3 contains 8 ligand types

Selection shortcuts: select all/none invert selection.
Ligand Description


 
1. Ligand: GOL × 5
glycerin
Glycerol
PDB codes: 2q38(A), 3k34(A), 3v7x(A), 4xe1(A), 5fnh(A).


 
2. Ligand: CIT × 3
citric acid
Citric acid
PDB codes: 5thj(A), 5thn(A), 6ugo(A).


 
3. Ligand: EDO × 2
1,2-Ethanediol
PDB codes: 4q09(A),


 
4. Ligand: S2O × 2
4-(2-Hydroxyethyl)benzenesulfonamide
PDB codes: 4yyt(A), 6rg5(A).


 
5. Ligand: 1MZ × 1
1-Methylimidazole
PDB code: 4hez(A).


 
6. Ligand: AUD × 1
Acesulfame
PDB code: 5wg7(A).


 
7. Ligand: Q7A × 1
5-Chloro-1lambda~6~,2,4-Benzothiadiazine-1,1,3(2h,4h)- Trione
PDB code: 6ugp(A).

_Na
 
8. Metal: _NA × 1
PDB code: 5ehv(A).

 

 Cluster 4 contains 9 ligand types

Selection shortcuts: select all/none invert selection.
Ligand Description


 
1. Ligand: BEZ × 2
benzoic acid
Benzoic acid
PDB codes: 6ql3(A), 6rmx(A).


 
2. Ligand: GOL × 2
glycerin
Glycerol
PDB codes: 4ilx(A), 4itp(A).


 
3. Ligand: SAL × 1
salicylic acid
2-Hydroxybenzoic acid
PDB code: 6ux1(A).


 
4. Ligand: MES × 26
2-(N-Morpholino)-Ethanesulfonic acid
PDB codes: 3m98(A), 3myq(A), 3sap(A), 3sbh(A), 4ht0(A), 4kni(A), 4knj(A), 4pyx(A), 4pzh(A), 4q08(A), 4qjm(A), 4qsa(A), 4qsb(A), 4qsi(A), 4qtl(A), 4ww6(A), 5dog(A), 5drs(A), 5ehe(A), 5lle(A), 5llh(A), 6ql2(A), 6r6j(A), 6rmy(A), 6t4p(A), 6yha(A).


 
5. Ligand: AUD × 3
Acesulfame
PDB codes: 5wg7(A), 5wgp(A).


 
6. Ligand: EDO × 2
1,2-Ethanediol
PDB codes: 4q09(A), 5llc(A).


 
7. Ligand: MJB × 1
2-Piperazin-1-Ylethanol
PDB code: 6t4n(A).


 
8. Ligand: UNX-UNX-UNX-UNX-UNX-UNX-UNX-UNX × 1
UNX=Unknown atom or ion.
PDB code: 3hlj(A).

_Br
 
9. Metal: _BR × 1
PDB code: 4ygj(A).

 

 Cluster 5 contains 5 ligand types

Selection shortcuts: select all/none invert selection.
Ligand Description


 
1. Ligand: GOL × 7
glycerin
Glycerol
PDB codes: 2aw1(A), 2hnc(A), 2qo8(A), 4fl7(A), 4mty(A), 4riv(A), 5ll8(A).


 
2. Ligand: CIT × 1
citric acid
Citric acid
PDB code: 6i3e(A).


 
3. Ligand: BGC × 27
Beta-D-Glucopyranose
PDB codes: 6gdc(A), 6gm9(A), 6hqx(A), 6hr3(A), 6hxd(A), 6i0w(A), 6i1u(A), 6i2f(A), 6rfh(A), 6rh4(A), 6rig(A), 6rit(A), 6rjj(A), 6rkn(A), 6rl9(A), 6rnp(A), 6rob(A), 6roe(A), 6rqi(A), 6rrg(A), 6rri(A), 6rs5(A), 6rsz(A), 6s9g(A), 6sbh(A), 6sd7(A), 6sey(A).


 
4. Ligand: FLC × 2
Citrate anion
PDB codes: 6sbl(A), 6sbm(A).


 
5. Ligand: IMD × 1
Imidazole
PDB code: 4hf3(A).

 

 Cluster 6 contains 5 ligand types

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Ligand Description


 
1. Ligand: GOL × 9
glycerin
Glycerol
PDB codes: 2vva(X), 2vvb(X), 3v7x(A), 3vbd(A), 4k0t(A), 4n16(A), 4riu(A), 5u0e(A), 5u0g(A).


 
2. Ligand: AZM × 1
acetazolamide
PDB code: 3hs4(A).


 
3. Ligand: BCN × 33
Bicine
PDB codes: 3m2n(A), 3s8x(A), 3s9t(A), 3sap(A), 3sax(A), 3sbh(A), 3sbi(A), 4pzh(A), 4q06(A), 4q07(A), 4q08(A), 4q6d(A), 4q6e(A), 4qiy(A), 4qjm(A), 4ww6(A), 5dog(A), 5doh(A), 5drs(A), 5ll4(A), 5lle(A), 5llg(A), 5llh(A), 5ogo(A), 6g6t(A), 6ql1(A), 6rmy(A), 6rof(A), 6t4n(A), 6t4o(A), 6t5c(A), 6t81(A), 6yh8(A).


 
4. Ligand: SO4 × 5
Sulfate ion
PDB codes: 4e4a(A), 4jsa(A), 4jss(A), 5g0b(A), 6vkg(A).


 
5. Ligand: EDO × 1
1,2-Ethanediol
PDB code: 5llc(A).

 

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