Ligand clusters for UniProt code Q9Y2J2

Ligand clusters for Q9Y2J2: Band 4.1-like protein 3 from Homo sapiens

		Top 6 (of 13) ligand clusters Cluster 1. 18 ligand types 29 ligands Cluster 2. 16 ligand types 59 ligands Cluster 3. 12 ligand types 12 ligands Cluster 4. 11 ligand types 157 ligands Cluster 5. 6 ligand types 7 ligands Cluster 6. 2 ligand types 53 ligands
Representative protein: 5rymA

Structures

PDB		Schematic diagram
5rymA
5rznA
5rz2A
5rzrA
5rzxA
		more ...

Cluster 1 contains 18 ligand types

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Ligand		Description
		1. Ligand: DMS × 11 dimethyl sulfoxide Dimethyl sulfoxide PDB codes: 5ryp(A), 5ryq(A), 5ryr(A), 5ryt(A), 5ryu(A), 5ryw(A), 5rz3(A), 5rzc(A), 5rzi(A), 5rzs(A), 5rzu(A).
		2. Ligand: EDO × 2 1,2-Ethanediol PDB codes: 5rz0(A), 5rzm(A).
		3. Ligand: AWD × 1 ~{N}-(4-Fluorophenyl)-4-Methyl-Piperazine-1-Carboxamide PDB code: 5rz6(A).
		4. Ligand: ELQ × 1 [3,4-Bis(fluoranyl)phenyl]-(4-Methylpiperazin-1-Yl) methanone PDB code: 5ryw(A).
		5. Ligand: NU4 × 1 2-Methyl-N-(Pyridin-4-Yl)furan-3-Carboxamide PDB code: 5ryo(A).
		6. Ligand: NVD × 1 N-{[4-(Dimethylamino)phenyl]methyl}-4h-1,2,4-Triazol-4- Amine PDB code: 5ryq(A).
		7. Ligand: NX7 × 1 (2,6-Difluorophenyl)(pyrrolidin-1-Yl)methanone PDB code: 5ryt(A).
		8. Ligand: O0Y × 1 3-(Diethylamino)phenol PDB code: 5rzx(A).
		9. Ligand: ONQ × 1 ~{N}-(2-Azanyl-2-Oxidanylidene-Ethyl)-4-Methoxy- Benzamide PDB code: 5rzp(A).
		10. Ligand: S7J × 1 2-(Trifluoromethyl)pyrimidine-5-Carboxamide PDB code: 5rzn(A).
		11. Ligand: UR7 × 1 1-(3-Fluoro-4-Methylphenyl)methanesulfonamide PDB code: 5rzs(A).
		12. Ligand: VVG × 1 N-(2-Fluorophenyl)ethanesulfonamide PDB code: 5rzr(A).
		13. Ligand: VZS × 1 N-(2-Methoxy-5-Methylphenyl)-N'-4h-1,2,4-Triazol-4- Ylurea PDB code: 5ryx(A).
		14. Ligand: WHM × 1 2-[(3-Fluorophenyl)methyl]-1lambda~6~,2-Thiazolidine-1, 1-Dione PDB code: 5rza(A).
		15. Ligand: WHS × 1 4-Methyl-N-{[(2r)-Oxolan-2-Yl]methyl}-1,3-Thiazol-2- Amine PDB code: 5rzi(A).
		16. Ligand: WHV × 1 (1s)-1-(2,4-Dimethyl-1,3-Thiazol-5-Yl)-N-Methylethan-1- Amine PDB code: 5rzk(A).
		17. Ligand: WJA × 1 N-Methyl-1-(5-Methyl-1,2-Oxazol-3-Yl)methanesulfonamide PDB code: 5rzt(A).
		18. Ligand: WJG × 1 (S)-1-(4-Methoxyphenyl)-1-Phenylmethanamine PDB code: 5rzw(A).

Cluster 2 contains 16 ligand types

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Ligand		Description
		1. Ligand: DMS × 44 dimethyl sulfoxide Dimethyl sulfoxide PDB codes: 5rym(A), 5ryn(A), 5ryo(A), 5ryp(A), 5ryq(A), 5rys(A), 5ryt(A), 5ryv(A), 5ryw(A), 5ryx(A), 5rz0(A), 5rz1(A), 5rz2(A), 5rz3(A), 5rz4(A), 5rz5(A), 5rz6(A), 5rz7(A), 5rz8(A), 5rz9(A), 5rza(A), 5rzc(A), 5rzd(A), 5rze(A), 5rzf(A), 5rzg(A), 5rzi(A), 5rzj(A), 5rzk(A), 5rzl(A), 5rzm(A), 5rzn(A), 5rzo(A), 5rzp(A), 5rzq(A), 5rzr(A), 5rzs(A), 5rzt(A), 5rzv(A), 5rzw(A), 5rzx(A), 5rzy(A), 5rzz(A), 5s00(A).
		2. Ligand: SFY × 1 sulfapyridine 4-Amino-N-(Pyridin-2-Yl)benzenesulfonamide PDB code: 5rzb(A).
		3. Ligand: 9KS × 1 N-(2-Hydroxyphenyl)acetamide PDB code: 5rzf(A).
		4. Ligand: AYV × 1 1-[2-Methyl-1,3-Bis(oxidanyl)propan-2-Yl]-3-Phenyl-Urea PDB code: 5rz7(A).
		5. Ligand: EDO × 1 1,2-Ethanediol PDB code: 6ibe(A).
		6. Ligand: NVY × 1 1-Ethyl-N-(2-Fluorophenyl)piperidin-4-Amine PDB code: 5ryz(A).
		7. Ligand: NZD × 1 4-Methyl-N-Phenylpiperazine-1-Carboxamide PDB code: 5rzh(A).
		8. Ligand: NZJ × 1 1-(3-Methylbenzene-1-Carbonyl)piperidine-4-Carboxamide PDB code: 5rzu(A).
		9. Ligand: S7G × 1 ~{N}-[(3~{r})-1,2,3,4-Tetrahydroquinolin-3- Yl]ethanamide PDB code: 5rzl(A).
		10. Ligand: UWV × 1 2-Fluoro-N-[(1h-Pyrazol-3-Yl)methyl]aniline PDB code: 5ryu(A).
		11. Ligand: WGP × 1 N,N-Dimethyl-N~2~-Phenylglycinamide PDB code: 5ryr(A).
		12. Ligand: WGV × 1 1-(3-Phenylprop-2-Yn-1-Yl)piperidine PDB code: 5ryy(A).
		13. Ligand: WH1 × 1 N-Methyl-N-[2-(Pyridin-2-Yl)ethyl]benzamide PDB code: 5rz2(A).
		14. Ligand: WJD × 1 2-Methoxy-N-Phenylacetamide PDB code: 5rzv(A).
		15. Ligand: WJJ × 1 (2r)-3-(4-Bromophenyl)-2-Methylpropanamide PDB code: 5rzz(A).
		16. Ligand: WJM × 1 2-[4-(Furan-2-Carbonyl)piperazin-1-Yl]acetamide PDB code: 5s00(A).

Cluster 3 contains 12 ligand types

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Ligand		Description
		1. Ligand: DMS × 1 dimethyl sulfoxide Dimethyl sulfoxide PDB code: 5rz4(A).
		2. Ligand: 7ZC × 1 1-(5-Methoxy-1h-Indol-3-Yl)-N,N-Dimethyl-Methanamine PDB code: 5rzj(A).
		3. Ligand: AYV × 1 1-[2-Methyl-1,3-Bis(oxidanyl)propan-2-Yl]-3-Phenyl-Urea PDB code: 5rz7(A).
		4. Ligand: GLY-THR-TYR-PHE-THR-HIS-GLU × 1 PDB code: 3bin(A).
		5. Ligand: GT4 × 1 ~{N}-(4-Hydroxyphenyl)-2-Methoxy-Ethanamide PDB code: 5rz9(A).
		6. Ligand: NTV × 1 (2s)-N-(3-Chloro-2-Methylphenyl)oxolane-2-Carboxamide PDB code: 5ryn(A).
		7. Ligand: NX7 × 1 (2,6-Difluorophenyl)(pyrrolidin-1-Yl)methanone PDB code: 5ryt(A).
		8. Ligand: O0P × 1 N-[(3-Fluorophenyl)methyl]-N-Methylsulfuric diamide PDB code: 5rzc(A).
		9. Ligand: O1M × 1 4-(4-Fluorophenyl)piperazine-1-Carboxamide PDB code: 5rzd(A).
		10. Ligand: WHM × 1 2-[(3-Fluorophenyl)methyl]-1lambda~6~,2-Thiazolidine-1, 1-Dione PDB code: 5rza(A).
		11. Ligand: WHP × 1 N-[(1r)-1-(2-Chlorophenyl)ethyl]methanesulfonamide PDB code: 5rzg(A).
		12. Ligand: WJ7 × 1 2-Bromo-4-Fluoro-N,N-Dimethylbenzamide PDB code: 5rzq(A).

Cluster 4 contains 11 ligand types

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Ligand		Description
		1. Ligand: DMS × 1 dimethyl sulfoxide Dimethyl sulfoxide PDB code: 5rzc(A).
		2. Ligand: EDO × 147 1,2-Ethanediol PDB codes: 5rym(A), 5ryn(A), 5ryo(A), 5ryp(A), 5ryq(A), 5ryr(A), 5rys(A), 5ryt(A), 5ryu(A), 5ryv(A), 5ryw(A), 5ryx(A), 5ryy(A), 5ryz(A), 5rz0(A), 5rz1(A), 5rz2(A), 5rz3(A), 5rz4(A), 5rz5(A), 5rz6(A), 5rz7(A), 5rz8(A), 5rz9(A), 5rza(A), 5rzb(A), 5rzc(A), 5rzd(A), 5rze(A), 5rzf(A), 5rzg(A), 5rzh(A), 5rzi(A), 5rzj(A), 5rzk(A), 5rzl(A), 5rzm(A), 5rzn(A), 5rzp(A), 5rzq(A), 5rzr(A), 5rzs(A), 5rzt(A), 5rzu(A), 5rzv(A), 5rzw(A), 5rzx(A), 5rzy(A), 5rzz(A), 5s00(A), 6ibe(A).
		3. Ligand: HGE × 1 Ethyl 1-Pyrazin-2-Ylpiperidine-4-Carboxylate PDB code: 5rym(A).
		4. Ligand: K0A × 1 (2,5-Dimethyl-1,3-Thiazol-4-Yl)(pyrrolidin-1-Yl) methanone PDB code: 5rz0(A).
		5. Ligand: RZS × 1 6-(Ethylamino)pyridine-3-Carbonitrile PDB code: 5rzy(A).
		6. Ligand: WGM × 1 (3s)-1-(3-Fluoropyridin-2-Yl)-4,4-Dimethylpyrrolidin-3- Ol PDB code: 5ryp(A).
		7. Ligand: WGS × 1 3-Fluoro-N-[(Oxan-4-Yl)methyl]pyridin-2-Amine PDB code: 5ryv(A).
		8. Ligand: WGY × 1 N-(4-Sulfamoylphenyl)propanamide PDB code: 5rz1(A).
		9. Ligand: WH4 × 1 N-(Propan-2-Yl)pyridin-3-Amine PDB code: 5rz3(A).
		10. Ligand: WH7 × 1 (2r)-1-{[(2,6-Dichlorophenyl)methyl]amino}propan-2-Ol PDB code: 5rz4(A).
		11. Ligand: WJ4 × 1 4-[(5-Chloro-1,2,3-Thiadiazol-4-Yl)methyl]morpholine PDB code: 5rzo(A).

Cluster 5 contains 6 ligand types

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Ligand		Description
		1. Ligand: EDO × 2 1,2-Ethanediol PDB codes: 5rze(A), 6ibe(A).
		2. Ligand: RYP × 1 ~{N}-Methyl-1-Pyridin-4-Yl-Methanamine PDB code: 5rze(A).
		3. Ligand: WH7 × 1 (2r)-1-{[(2,6-Dichlorophenyl)methyl]amino}propan-2-Ol PDB code: 5rz4(A).
		4. Ligand: WHD × 1 4-({[(4-Fluorophenyl)methyl]amino}methyl)benzonitrile PDB code: 5rz5(A).
		5. Ligand: WHG × 1 1-[(1,2-Oxazol-3-Yl)methyl]piperazine PDB code: 5rz8(A).
		6. Ligand: WHY × 1 4-[(Dimethylamino)methyl]benzonitrile PDB code: 5rzm(A).

Cluster 6 contains 2 ligand types

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Ligand		Description
		1. Ligand: EDO × 52 1,2-Ethanediol PDB codes: 5rym(A), 5ryn(A), 5ryo(A), 5ryp(A), 5ryq(A), 5ryr(A), 5rys(A), 5ryt(A), 5ryu(A), 5ryv(A), 5ryw(A), 5ryx(A), 5ryy(A), 5ryz(A), 5rz0(A), 5rz1(A), 5rz2(A), 5rz3(A), 5rz4(A), 5rz5(A), 5rz6(A), 5rz7(A), 5rz8(A), 5rz9(A), 5rza(A), 5rzb(A), 5rzc(A), 5rzd(A), 5rze(A), 5rzf(A), 5rzg(A), 5rzh(A), 5rzi(A), 5rzj(A), 5rzk(A), 5rzl(A), 5rzm(A), 5rzn(A), 5rzo(A), 5rzp(A), 5rzq(A), 5rzr(A), 5rzs(A), 5rzt(A), 5rzu(A), 5rzv(A), 5rzw(A), 5rzx(A), 5rzy(A), 5rzz(A), 5s00(A), 6ibe(A).
		2. Ligand: H0D × 1 N-(4-Chlorophenyl)-N'-[(2r)-1-Hydroxybutan-2-Yl]urea PDB code: 5rys(A).