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Ligand clusters for UniProt code Q6PJP8

Ligand clusters for Q6PJP8: DNA cross-link repair 1A protein from Homo sapiens

Top 6 (of 12) ligand clusters


Cluster 1. 12 ligand types 12 ligands		Cluster 2. 5 ligand types 5 ligands		Cluster 3. 6 ligand types 624 ligands		Cluster 4. 4 ligand types 4 ligands		Cluster 5. 3 ligand types 3 ligands		Cluster 6. 2 ligand types 2 ligands

Representative protein: 5nzyA

Structures

PDB		Schematic diagram

5nzyA
5q7qA
5q4aA
5q3oA
5q4yA
		more ...

Cluster 1 contains 12 ligand types

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Ligand

Description

1. Ligand: AWY × 1

agomelatine

~{N}-[2-(7-Methoxynaphthalen-1-Yl)ethyl]ethanamide

PDB code: 5q1s(A).

2. Ligand: 9KS × 1

N-(2-Hydroxyphenyl)acetamide

PDB code: 5q1j(A).

3. Ligand: AWP × 1

1-Cyclohexyl-3-(2-Pyridin-4-Ylethyl)urea

PDB code: 5q1p(A).

4. Ligand: AY4 × 1

2,4-Bis(fluoranyl)-6-(1~{h}-Pyrazol-3-Yl)phenol

PDB code: 5q1x(A).

5. Ligand: AYJ × 1

2-[Cyclohexyl(methylsulfonyl)amino]ethanamide

PDB code: 5q1y(A).

6. Ligand: AYS × 1

2-[(4-Chlorophenyl)amino]benzamide

PDB code: 5q1z(A).

7. Ligand: AYV × 1

1-[2-Methyl-1,3-Bis(oxidanyl)propan-2-Yl]-3-Phenyl-Urea

PDB code: 5q20(A).

8. Ligand: B0M × 1

1~{h}-Indol-6-Yl-(4-Methylpiperazin-1-Yl)methanone

PDB code: 5q25(A).

9. Ligand: B0V × 1

2-Methoxy-~{N}-(2,4,6-Trimethylphenyl)ethanamide

PDB code: 5q26(A).

10. Ligand: B1A × 1

~{N}-(4-Phenylazanylphenyl)ethanamide

PDB code: 5q28(A).

11. Ligand: B1J × 1

[1-(4-Chlorophenyl)-1,2,3-Triazol-4-Yl]methanol

PDB code: 5q29(A).

12. Ligand: EDO × 1

1,2-Ethanediol

PDB code: 5ahr(A).

Cluster 2 contains 5 ligand types

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Ligand

Description

1. Ligand: AWM × 1

2-(4-Methylpiperazin-1-Yl)-1,3-Benzothiazole

PDB code: 5q1o(A).

2. Ligand: AXG × 1

1-(Phenylmethyl)-4-Pyrrol-1-Yl-Piperidine

PDB code: 5q1t(A).

3. Ligand: AXJ × 1

[(2~{r})-1-[[(1~{r},5~{s})-6,6-Dimethyl-2- Bicyclo[3.1.1]hept-2-Enyl]methyl]pyrrolidin-2-
Yl]methanol

PDB code: 5q1u(A).

4. Ligand: AXS × 1

1-(4-Fluorophenyl)-~{N}-[[(2~{r})-Oxolan-2- Yl]methyl]methanamine

PDB code: 5q1v(A).

5. Ligand: B0A × 1

~{N}-Cyclohexyl-2-Phenoxy-Ethanamide

PDB code: 5q22(A).

Cluster 3 contains 6 ligand types

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Ligand

Description

1. Ligand: 9F2 × 2

ceftriaxone

Ceftriaxone

PDB codes: 5nzw(A), 5nzx(A).

_Zn

2. Metal: _ZN × 2

PDB codes: 4b87(A), 5ahr(A).

3. Ligand: CE3 × 1

cefotaxime

(6r,7r)-3-(Acetyloxymethyl)-7-[[(2z)-2-(2-Amino-1,3- Thiazol-4-Yl)-2-Methoxyimino-Ethanoyl]amino]-
8-Oxo-5- Thia-1-Azabicyclo[4.2.0]oct-2-Ene-2-Carboxylic acid

PDB code: 5nzy(A).

_Ni

4. Metal: _NI × 310

PDB codes: 5nzw(A), 5nzx(A), 5nzy(A), 5q1j(A), 5q1k(A), 5q1l(A), 5q1m(A), 5q1n(A), 5q1o(A), 5q1p(A), 5q1q(A), 5q1r(A), 5q1s(A), 5q1t(A), 5q1u(A), 5q1v(A), 5q1w(A), 5q1x(A), 5q1y(A), 5q1z(A), 5q20(A), 5q22(A), 5q23(A), 5q24(A), 5q25(A), 5q26(A), 5q27(A), 5q28(A), 5q29(A), 5q2a(A), 5q2b(A), 5q2c(A), 5q2d(A), 5q2e(A), 5q2f(A), 5q2g(A), 5q2h(A), 5q2i(A), 5q2j(A), 5q2k(A), 5q2l(A), 5q2m(A), 5q2n(A), 5q2o(A), 5q2p(A), 5q2q(A), 5q2r(A), 5q2s(A), 5q2t(A), 5q2u(A), 5q2v(A), 5q2w(A), 5q2x(A), 5q2y(A), 5q2z(A), 5q30(A), 5q31(A), 5q32(A), 5q33(A), 5q34(A), 5q35(A), 5q36(A), 5q37(A), 5q38(A), 5q39(A), 5q3a(A), 5q3b(A), 5q3c(A), 5q3d(A), 5q3e(A), 5q3f(A), 5q3g(A), 5q3h(A), 5q3i(A), 5q3j(A), 5q3k(A), 5q3l(A), 5q3m(A), 5q3n(A), 5q3o(A), 5q3p(A), 5q3q(A), 5q3r(A), 5q3s(A), 5q3t(A), 5q3u(A), 5q3v(A), 5q3w(A), 5q3x(A), 5q3y(A), 5q3z(A), 5q40(A), 5q41(A), 5q42(A), 5q43(A), 5q44(A), 5q45(A), 5q46(A), 5q47(A), 5q48(A), 5q49(A), 5q4a(A), 5q4b(A), 5q4c(A), 5q4d(A), 5q4e(A), 5q4f(A), 5q4g(A), 5q4h(A), 5q4i(A), 5q4j(A), 5q4k(A), 5q4l(A), 5q4m(A), 5q4n(A), 5q4o(A), 5q4p(A), 5q4q(A), 5q4r(A), 5q4s(A), 5q4t(A), 5q4u(A), 5q4v(A), 5q4w(A), 5q4x(A), 5q4y(A), 5q4z(A), 5q50(A), 5q51(A), 5q52(A), 5q53(A), 5q54(A), 5q55(A), 5q56(A), 5q57(A), 5q58(A), 5q59(A), 5q5a(A), 5q5b(A), 5q5c(A), 5q5d(A), 5q5e(A), 5q5f(A), 5q5g(A), 5q5h(A), 5q5i(A), 5q5j(A), 5q5k(A), 5q5l(A), 5q5m(A), 5q5n(A), 5q5o(A), 5q5p(A), 5q5q(A), 5q5r(A), 5q5s(A), 5q5t(A), 5q5u(A), 5q5v(A), 5q5w(A), 5q5x(A), 5q5y(A), 5q5z(A), 5q60(A), 5q61(A), 5q62(A), 5q63(A), 5q64(A), 5q65(A), 5q66(A), 5q67(A), 5q68(A), 5q69(A), 5q6a(A), 5q6b(A), 5q6c(A), 5q6d(A), 5q6e(A), 5q6f(A), 5q6g(A), 5q6h(A), 5q6i(A), 5q6j(A), 5q6k(A), 5q6l(A), 5q6m(A), 5q6n(A), 5q6o(A), 5q6p(A), 5q6q(A), 5q6r(A), 5q6s(A), 5q6t(A), 5q6u(A), 5q6v(A), 5q6w(A), 5q6x(A), 5q6y(A), 5q6z(A), 5q70(A), 5q71(A), 5q72(A), 5q73(A), 5q74(A), 5q75(A), 5q76(A), 5q77(A), 5q78(A), 5q79(A), 5q7a(A), 5q7b(A), 5q7c(A), 5q7d(A), 5q7e(A), 5q7f(A), 5q7g(A), 5q7h(A), 5q7i(A), 5q7j(A), 5q7k(A), 5q7l(A), 5q7m(A), 5q7n(A), 5q7o(A), 5q7p(A), 5q7q(A), 5q7r(A), 5q7s(A), 5q7t(A), 5q7u(A), 5q7v(A), 5q7w(A), 5q7x(A), 5q7y(A), 5q7z(A), 5q80(A), 5q81(A), 5q82(A), 5q83(A), 5q84(A), 5q85(A), 5q86(A), 5q87(A), 5q88(A), 5q89(A), 5q8a(A), 5q8b(A), 5q8c(A), 5q8d(A), 5q8e(A), 5q8f(A), 5q8g(A), 5q8h(A), 5q8i(A), 5q8j(A), 5q8k(A), 5q8l(A), 5q8m(A), 5q8n(A), 5q8o(A), 5q8p(A), 5q8q(A), 5q8r(A), 5q8s(A), 5q8t(A), 5q8u(A), 5q8v(A), 5q8w(A), 5q8x(A), 5q8y(A), 5q8z(A), 5q90(A), 5q91(A), 5q92(A), 5q93(A), 5q94(A), 5q95(A), 5q96(A), 5q97(A), 5q98(A), 5q99(A), 5q9a(A), 5q9b(A), 5q9c(A), 5q9d(A), 5q9e(A), 5q9f(A), 5q9g(A), 5q9h(A), 5q9i(A), 5q9j(A), 5q9k(A), 5q9l(A), 5q9m(A), 5q9n(A), 5q9o(A), 5q9p(A), 5q9q(A), 5q9r(A), 5q9s(A), 5q9t(A), 5q9u(A), 5q9v(A), 5q9w(A), 5q9x(A), 5q9y(A), 5q9z(A), 5qa0(A), 5qa1(A), 5qa2(A).

5. Ligand: MLI × 307

Malonate ion

PDB codes: 5q1j(A), 5q1k(A), 5q1l(A), 5q1m(A), 5q1n(A), 5q1o(A), 5q1p(A), 5q1q(A), 5q1r(A), 5q1s(A), 5q1t(A), 5q1u(A), 5q1v(A), 5q1w(A), 5q1x(A), 5q1y(A), 5q1z(A), 5q20(A), 5q22(A), 5q23(A), 5q24(A), 5q25(A), 5q26(A), 5q27(A), 5q28(A), 5q29(A), 5q2a(A), 5q2b(A), 5q2c(A), 5q2d(A), 5q2e(A), 5q2f(A), 5q2g(A), 5q2h(A), 5q2i(A), 5q2j(A), 5q2k(A), 5q2l(A), 5q2m(A), 5q2n(A), 5q2o(A), 5q2p(A), 5q2q(A), 5q2r(A), 5q2s(A), 5q2t(A), 5q2u(A), 5q2v(A), 5q2w(A), 5q2x(A), 5q2y(A), 5q2z(A), 5q30(A), 5q31(A), 5q32(A), 5q33(A), 5q34(A), 5q35(A), 5q36(A), 5q37(A), 5q38(A), 5q39(A), 5q3a(A), 5q3b(A), 5q3c(A), 5q3d(A), 5q3e(A), 5q3f(A), 5q3g(A), 5q3h(A), 5q3i(A), 5q3j(A), 5q3k(A), 5q3l(A), 5q3m(A), 5q3n(A), 5q3o(A), 5q3p(A), 5q3q(A), 5q3r(A), 5q3s(A), 5q3t(A), 5q3u(A), 5q3v(A), 5q3w(A), 5q3x(A), 5q3y(A), 5q3z(A), 5q40(A), 5q41(A), 5q42(A), 5q43(A), 5q44(A), 5q45(A), 5q46(A), 5q47(A), 5q48(A), 5q49(A), 5q4a(A), 5q4b(A), 5q4c(A), 5q4d(A), 5q4e(A), 5q4f(A), 5q4g(A), 5q4h(A), 5q4i(A), 5q4j(A), 5q4k(A), 5q4l(A), 5q4m(A), 5q4n(A), 5q4o(A), 5q4p(A), 5q4q(A), 5q4r(A), 5q4s(A), 5q4t(A), 5q4u(A), 5q4v(A), 5q4w(A), 5q4x(A), 5q4y(A), 5q4z(A), 5q50(A), 5q51(A), 5q52(A), 5q53(A), 5q54(A), 5q55(A), 5q56(A), 5q57(A), 5q58(A), 5q59(A), 5q5a(A), 5q5b(A), 5q5c(A), 5q5d(A), 5q5e(A), 5q5f(A), 5q5g(A), 5q5h(A), 5q5i(A), 5q5j(A), 5q5k(A), 5q5l(A), 5q5m(A), 5q5n(A), 5q5o(A), 5q5p(A), 5q5q(A), 5q5r(A), 5q5s(A), 5q5t(A), 5q5u(A), 5q5v(A), 5q5w(A), 5q5x(A), 5q5y(A), 5q5z(A), 5q60(A), 5q61(A), 5q62(A), 5q63(A), 5q64(A), 5q65(A), 5q66(A), 5q67(A), 5q68(A), 5q69(A), 5q6a(A), 5q6b(A), 5q6c(A), 5q6d(A), 5q6e(A), 5q6f(A), 5q6g(A), 5q6h(A), 5q6i(A), 5q6j(A), 5q6k(A), 5q6l(A), 5q6m(A), 5q6n(A), 5q6o(A), 5q6p(A), 5q6q(A), 5q6r(A), 5q6s(A), 5q6t(A), 5q6u(A), 5q6v(A), 5q6w(A), 5q6x(A), 5q6y(A), 5q6z(A), 5q70(A), 5q71(A), 5q72(A), 5q73(A), 5q74(A), 5q75(A), 5q76(A), 5q77(A), 5q78(A), 5q79(A), 5q7a(A), 5q7b(A), 5q7c(A), 5q7d(A), 5q7e(A), 5q7f(A), 5q7g(A), 5q7h(A), 5q7i(A), 5q7j(A), 5q7k(A), 5q7l(A), 5q7m(A), 5q7n(A), 5q7o(A), 5q7p(A), 5q7q(A), 5q7r(A), 5q7s(A), 5q7t(A), 5q7u(A), 5q7v(A), 5q7w(A), 5q7x(A), 5q7y(A), 5q7z(A), 5q80(A), 5q81(A), 5q82(A), 5q83(A), 5q84(A), 5q85(A), 5q86(A), 5q87(A), 5q88(A), 5q89(A), 5q8a(A), 5q8b(A), 5q8c(A), 5q8d(A), 5q8e(A), 5q8f(A), 5q8g(A), 5q8h(A), 5q8i(A), 5q8j(A), 5q8k(A), 5q8l(A), 5q8m(A), 5q8n(A), 5q8o(A), 5q8p(A), 5q8q(A), 5q8r(A), 5q8s(A), 5q8t(A), 5q8u(A), 5q8v(A), 5q8w(A), 5q8x(A), 5q8y(A), 5q8z(A), 5q90(A), 5q91(A), 5q92(A), 5q93(A), 5q94(A), 5q95(A), 5q96(A), 5q97(A), 5q98(A), 5q99(A), 5q9a(A), 5q9b(A), 5q9c(A), 5q9d(A), 5q9e(A), 5q9f(A), 5q9g(A), 5q9h(A), 5q9i(A), 5q9j(A), 5q9k(A), 5q9l(A), 5q9m(A), 5q9n(A), 5q9o(A), 5q9p(A), 5q9q(A), 5q9r(A), 5q9s(A), 5q9t(A), 5q9u(A), 5q9v(A), 5q9w(A), 5q9x(A), 5q9y(A), 5q9z(A), 5qa0(A), 5qa1(A), 5qa2(A).