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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01328957

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
0244-BROMO-3-(CARBOXYMETHOXY)-5-[3-
(CYCLOHEXYLAMINO)PHENYL]THIOPHENE-
2-CARBOXYLIC ACID		A2QBS0.7
5153-({5-[(N-ACETYL-3-{4-[(CARBOXYCARBONYL)(2-
CARBOXYPHENYL)AMINO]-1-NAPHTHYL}-
L-ALANYL)AMINO]PENTYL}OXY)-2-NAPHTHOIC ACID		A1NNY0.73
BD23-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-
4-YL 4-(2-HYDROXYBENZOYL)BENZOATE		A1RE80.74
D554-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)-
3,5-dimethylbenzamide		A2VIQ0.74
CNO2-{4-[(3{2-[4-(1-CARBOXY-1-METHYL-
ETHOXY)-PHENYL]-ACETYLAMINO}-PHENYLCARBAMOYL)-
METHYL]-PHENOXY}-2-METHYL-PROPIONIC ACID		A,B,C,D1K0Y0.72
393(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACIDA2PDU0.74
393(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACIDA2PDC0.74
393(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACIDA2PDP0.74
393(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACIDA2PZN0.74
393(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACIDA2PDJ0.74
393(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACIDA2IKJ0.74
9682-[(7-HYDROXY-NAPHTHALEN-1-YL)-
OXALYL-AMINO]-BENZOIC ACID		A1ONZ0.74
MBQ2-HYDROXY-5-({1-[(4-METHYLPHENOXY)METHYL]-
3-OXOPROP-1-ENYL}AMINO)-L-TYROSINE		A1SIH0.74
DBS2-(2,3-DIHYDROXY-BENZOYLAMINO)-
3-HYDROXY-PROPIONIC ACID		A,B,C1L6M0.71
DBS2-(2,3-DIHYDROXY-BENZOYLAMINO)-
3-HYDROXY-PROPIONIC ACID		A,B,C3CBC0.71
DBS2-(2,3-DIHYDROXY-BENZOYLAMINO)-
3-HYDROXY-PROPIONIC ACID		A,B,C3BY00.71
331(2S)-2-(4-[2-(3-[2,4-DIFLUOROPHENYL]-
1-HEPTYLUREIDO)ETHYL]PHENOXY)-2-
METHYLBUTYRIC ACID		A,B1Y0S0.71
3B6(2S)-N-(4-cyano-3-iodophenyl)-3-
(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide		A3B650.71
R2C5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACIDA2PRL0.72
EB4N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-
1,5,9-trioxacyclododecane-3,7,11-
triyl]tris(2,3-dihydroxybenzamide)		A,B,C3CMP0.75
5CN5-CYANO-FURAN-2-CARBOXYLIC ACID [5-
HYDROXYMETHYL-2-(4-METHYL-PIPERIDIN-
1-YL)-PHENYL]-AMIDE		A2I1M0.73
5CN5-CYANO-FURAN-2-CARBOXYLIC ACID [5-
HYDROXYMETHYL-2-(4-METHYL-PIPERIDIN-
1-YL)-PHENYL]-AMIDE		A2I0Y0.73
BA1BALANOLA1BX60.71
U04({3-[1-(4-HYDROXY-2-OXO-2H-CHROMEN-
3-YL)-PROPYL]-PHENYLCARBAMOYL}-
METHYL)-CARBAMIC ACID TERT-BUTYL ESTER		A4UPJ0.74
I03(2S)-2-AMINO-2-BENZYL-3-HYDROXYPROPYL 3-
({[(1R)-1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)-
5-[METHYL(METHYLSULFONYL)AMINO]BENZOATE		A2IS00.7
135N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY-
BENZAMIDE		B1GJA0.75
BPDN-(M-TRIFLUOROMETHYLPHENYL) PHENOXAZINE-
4,6-DICARBOXYLIC ACID		A1DVY0.76
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.7
4BQ(2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acidA3CHQ0.73
IC13-[(2,4,6-TRIMETHOXY-PHENYL)-METHYLENE]-
INDOLIN-2-ONE		A,B1EH40.7
RXB(1S)-2-oxo-1-phenyl-2-[(1,3,4-trioxo-
1,2,3,4-tetrahydroisoquinolin-5-
yl)amino]ethyl acetate		A,B,C,D3DEI0.7
7942-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACIDA1NO60.71
R6GRHODAMINE 6GB2V3L0.71
ILBA2FPT0.7
GFA2-[4-chloro-2-(phenylcarbonyl)phenoxy]-
N-phenylacetamide		A3DLE0.75
MUT(5S)-3-(3-ACETYLPHENYL)-N-[(1S,2R)-
1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-
METHOXYPHENYL)SULFONYL]AMINO}PROPYL]-
2-OXO-1,3-OXAZOLIDINE-5-CARBOXAMIDE		A,B2I0D0.72
3FTA2BXV0.71
6172-{[(4-CHLOROPHENOXY)ACETYL]AMINO}BENZOIC ACIDA2QE50.77
MHBA,B1SRG0.71
R364-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)-
ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL-
5-PHENYL-PENTYL}-BENZAMIDE		A1LEE0.75
9105-[3-(BENZYLAMINO)PHENYL]-4-BROMO-
3-(CARBOXYMETHOXY)THIOPHENE-2-CARBOXYLIC ACID		A2QBR0.7
4BU(2S)-2-amino-5-[[4-[(2S)-2-hydroxy-
2-phenyl-ethoxy]phenyl]amino]-5-
oxo-pentanoic acid		A3CHS0.71
INX2-(CARBOXYMETHOXY)-5-[(2S)-2-({(2S)-
2-[(3-CARBOXYPROPANOYL)AMINO] -
3-PHENYLPROPANOYL}AMINO)-3-OXO-
3-(PENTYLAMINO)PROPYL]BENZOIC ACID		A1G7G0.71
RHOTETRAMETHYLRHODAMINE-5-MALEIMIDEA1J6Z0.73
RHOTETRAMETHYLRHODAMINE-5-MALEIMIDEA1NWK0.73
MUI(5S)-3-(4-ACETYLPHENYL)-N-[(1S,2R)-
1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-
METHOXYPHENYL)SULFONYL]AMINO}PROPYL]-
2-OXO-1,3-OXAZOLIDINE-5-CARBOXAMIDE		A,B2I0A0.72
35B4-bromo-3-(carboxymethoxy)-5-{3-
[cyclohexyl(methylcarbamoyl)amino]phenyl}thiophene-
2-carboxylic acid		A2ZMM0.71
4BO(3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acidA3CHP0.72
6CAA2FLM0.7
PY94-{[(2R)-2-(2-methylphenyl)pyrrolidin-
1-yl]carbonyl}benzene-1,3-diol		A,B3EKR0.71
C002-(4-hydroxybiphenyl-3-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione		A3BYX0.7
C002-(4-hydroxybiphenyl-3-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione		A3BZ00.7
4216-CARBAMIMIDOYL-4-(3-HYDROXY-2-
METHYL-BENZOYLAMINO)-NAPHTHALENE-
2-CARBOXYLIC ACID METHYL ESTER		A1ZSK0.71
VG4N-[(1S,2R)-1-benzyl-3-{[(1S)-2-
(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-
2-hydroxypropyl]-3-(2-oxo-2,3-dihydro-
1H-pyrrol-1-yl)-5-propoxybenzamide		A2VIZ0.7
PCYPACTAMYCINA,D,H,N1HNX0.74
ANJ(2R,3S,6S,7R,8R)-3-{[3-(FORMYLAMINO)-
2-HYDROXYBENZOYL]AMINO}-8-HEXYL-
2,6-DIMETHYL-4,9-DIOXO-1,5-DIOXONAN-
7-YL (2S)-2-METHYLBUTANOATE		A,B,C,D,E,F,
G,H,I,J,K,L		2QJP0.77
ANJ(2R,3S,6S,7R,8R)-3-{[3-(FORMYLAMINO)-
2-HYDROXYBENZOYL]AMINO}-8-HEXYL-
2,6-DIMETHYL-4,9-DIOXO-1,5-DIOXONAN-
7-YL (2S)-2-METHYLBUTANOATE		A,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R		2QJK0.77
DMC3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-
2-METHYL-PROPIONIC ACID		G4GCH0.72
DRF(2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-
10-YL)ETHOXY]PHENYL}PROPANOIC ACID		A1NYX0.74
4BS4-amino-N-[4-(benzyloxy)phenyl]butanamideA3CHR0.71
L051-BENZYL-3-(4-METHOXYPHENYLAMINO)-
4-PHENYLPYRROLE-2,5-DIONE		A,B,C,D,E,F,
G,H		2ACL0.7
R373-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)-
ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL-
5-PHENYL-PENTYL}-BENZAMIDE		A1LF20.75
4182-{4-[2-(S)-ALLYLOXYCARBONYLAMINO-
3-{4-[(2-CARBOXY-PHENYL)-OXALYL-
AMINO]-PHENYL}-PROPIONYLAMINO]-
BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER		A1PH00.78
HABA,B1SRE0.71
AMYANTIMYCINC,D,E3BCC0.77
44CA2FBR0.7
B1L3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-
4-YL 4-HYDROXYBENZOATE		A1REJ0.74
RAC4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)-
BENZOIC ACID		H1MEX0.76
RQ32-{4-[(3,5-DIMETHYLANILINO)-CARBONYL-
METHYL]-PHENOXY}-2-METHYLPROPIONIC ACID		A,B,C,D1G9V0.73
D272-{[(2E)-3-(3,4-dimethoxyphenyl)prop-
2-enoyl]amino}benzoic acid		A,B,C,D2VD00.74
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.71
4104-bromo-3-(carboxymethoxy)-5-{3-
[cyclohexyl(phenylcarbonyl)amino]phenyl}thiophene-
2-carboxylic acid		A2ZN70.74
ANY2-METHYL-BUTYRIC ACID 3-(3-FORMYLAMINO-
2-HYDROXY-BENZOYLAMINO)-8-HEPTYL-
2,6-DIMETHYL-4,9-DIOXO-[1,5]DIOXONAN-
7-YL ESTER		A,C,D,E,N,P,
Q,R		3H1I0.77
ANY2-METHYL-BUTYRIC ACID 3-(3-FORMYLAMINO-
2-HYDROXY-BENZOYLAMINO)-8-HEPTYL-
2,6-DIMETHYL-4,9-DIOXO-[1,5]DIOXONAN-
7-YL ESTER		A,B,C,D,E,F,
G,O,P,Q,R,S,T		1PPJ0.77