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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01017968

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
5702-(2-BENZOYL-PHENYLAMINO)-3-{4-
[2-(5-METHYL-2-PHENYL-OXAZOL-4-
YL)-ETHOXY]-PHENYL}-PROPIONIC ACID
A,D1RDT0.81
5702-(2-BENZOYL-PHENYLAMINO)-3-{4-
[2-(5-METHYL-2-PHENYL-OXAZOL-4-
YL)-ETHOXY]-PHENYL}-PROPIONIC ACID
A,D1FM90.81
897N-[3-(TERT-BUTYLAMINO)-3-OXOPROPYL]-
N-ISOPROPYL-3-METHYL-5-{[(2S)-2-
(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE
B,H2UUK0.71
GW4N-[(2S)-2-[(2-BENZOYLPHENYL)AMINO]-
3-{4-[2-(5-METHYL-2-PHENYL-1,3-
OXAZOL-4-YL)ETHOXY]PHENYL}PROPYL]ACETAMIDE
A,B2POB0.86
IOGN-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-
2-[2-PHENYL-6-(2-PIPERIDIN-1-YLETHOXY)-
1H-INDOL-3-YL]ACETAMIDE
A2IOG0.71
IIDN-(1-ISOPROPYLPIPERIDIN-4-YL)-1-
(3-METHOXYBENZYL)-1H-INDOLE-2-CARBOXAMIDE
A,B2BQ70.76
JTPN-[(13-CYCLOHEXYL-6,7-DIHYDROINDOLO[1,2-
D][1,4]BENZOXAZEPIN-10-YL)CARBONYL]-
2-METHYL-L-ALANINE
A,B2DXS0.77
ZYEN-{(1S,2R)-1-BENZYL-2-HYDROXY-3-
[(3-METHOXYBENZYL)AMINO]PROPYL}-
1-ETHYL-4-(2-OXO-2,3-DIHYDRO-1H-
PYRROL-1-YL)-1H-INDOLE-6-CARBOXAMIDE
A2WEZ0.7
6691-(5-CARBOXYPENTYL)-5-(2,6-DICHLOROBENZYLOXY)-
1H-INDOLE-2-CARBOXYLIC ACID
A1MZS0.7
541(2R)-N-HYDROXY-2-[(3S)-3-METHYL-
3-{4-[(2-METHYLQUINOLIN-4-YL)METHOXY]PHENYL}-
2-OXOPYRROLIDIN-1-YL]PROPANAMIDE
A,B2FV50.75
BI54-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDEA1ZYJ0.74
MMB(2R,3E)-2-{4-[(5-METHYL-2-PHENYL-
1,3-OXAZOL-4-YL)METHOXY]BENZYL}-
3-(PROPOXYIMINO)BUTANOIC ACID
A,C2NPA0.77
W032,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZOLYL]-
PROPANYL)-4-[2-METHYL-4-ISOXAZOLYL]-
PHENOL
1,41QJY0.75
896N-ETHYL-N-ISOPROPYL-3-METHYL-5-
{[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE
B,H2UUJ0.72
IMA[4-({[5-BENZYLOXY-1-(3-CARBAMIMIDOYL-
BENZYL)-1H-INDOLE-2-CARBONYL]-AMINO}-
METHYL)-PHENYL]-TRIMETHYL-AMMONIUM
B1LPG0.75
IMA[4-({[5-BENZYLOXY-1-(3-CARBAMIMIDOYL-
BENZYL)-1H-INDOLE-2-CARBONYL]-AMINO}-
METHYL)-PHENYL]-TRIMETHYL-AMMONIUM
A1LQE0.75
A535-{5-[(S)-2-AMINO-3-(1H-INDOL-3-
YL)-PROPOXYL]-PYRIDIN-3-YL}-3-[1-
(1H-PYRROL-2-YL)-METH-(Z)-YLIDENE]-
1,3-DIHYDRO-INDOL-2-ONE
A2GHG0.71
IMM1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-
3-ACETIC ACID
A,B1PGF0.7
IMM1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-
3-ACETIC ACID
A,B1PGG0.7
NSI3-(4-METHOXYPHENYL)-N-(PHENYLSULFONYL)-
1-[3-(TRIFLUOROMETHYL)BENZYL]-1H-
INDOLE-2-CARBOXAMIDE
A2HFP0.72
471N-((2S)-2-({(1Z)-1-METHYL-3-OXO-
3-[4-(TRIFLUOROMETHYL) PHENYL]PROP-
1-ENYL}AMINO)-3-{4-[2-(5-METHYL-
2-PHENYL-1,3-OXAZOL-4-YL)ETHOXY]PHENYL}PROPYL)PROPANAMIDE
A,B,C,D1KKQ0.83
MR54-(1,3-BENZOXAZOL-2-YL)-2,6-DIBROMOPHENOLA,B2QGD0.71
D3G(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINEA,B,C,D2FDW0.71
310N-carbamimidoyl-2-[2-(2-chlorophenyl)-
5-[4-(4-ethanoylphenoxy)phenyl]pyrrol-
1-yl]ethanamide
A2ZDZ0.73
YPA(S)-3-(4-(2-CARBAZOL-9-YL-ETHOXY)-
PHENYL)-2-ETHOXY-PROPIONIC ACID
A1KNU0.71
POO3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN-
3-YL)METHYL]AMINO}-2-OXOETHYL)-
2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID
A2BRL0.73
8261,3,4,9-TETRAHYDRO-2-(HYDROXYBENZOYL)-
9-[(4-HYDROXYPHENYL)METHYL]-6-METHOXY-
2H-PYRIDO[3,4-B]INDOLE
A,B1I300.71
DRH(2S)-2-(4-{2-[1,3-BENZOXAZOL-2-
YL(HEPTYL)AMINO]ETHYL}PHENOXY)-
2-METHYLBUTANOIC ACID
A2I4P0.75
DRH(2S)-2-(4-{2-[1,3-BENZOXAZOL-2-
YL(HEPTYL)AMINO]ETHYL}PHENOXY)-
2-METHYLBUTANOIC ACID
A2I4Z0.75
MBC2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}-
2-FURYL)-1H-BENZIMIDAZOLE-5-CARBOXIMIDAMIDE
A2I2I0.7
B4Cbenzyl [(1S)-5-amino-1-{[(1S)-1-
({(1S)-5-amino-1-[(S)-1,3-benzoxazol-
2-yl(hydroxy)methyl]pentyl}carbamoyl)-
3-phenylpropyl]carbamoyl}pentyl]carbamate
B3E160.8
D1GN,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN-
2-YL)METHANAMINE
A,B,C,D2FDU0.74
DSI4-HYDROXY-6-(1H-INDOLE-2-CARBONYL)-
8-METHYL-3,6,7,8-TETRAHYDRO-3,6-
DIAZA-AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTER
B1DSI0.7
DRJ(2R)-2-(4-{2-[1,3-BENZOXAZOL-2-
YL(HEPTYL)AMINO]ETHYL}PHENOXY)-
2-METHYLBUTANOIC ACID
A2I4J0.75
ONO2-[2-({[4-(DIAMINOMETHYL)PHENYL]AMINO}CARBONYL)-
6-METHOXYPYRIDIN-3-YL]-5-{[(1-FORMYL-
2,2-DIMETHYLPROPYL)AMINO]CARBONYL}BENZOIC ACID
A2AYW0.71
CMF3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-
2-OXOETHYL)-2-PHENYL-1H-INDOLE-
6-CARBOXYLIC ACID
A2BRK0.74
B3Cbenzyl [(1R)-1-({(2S,4R)-2-({(1S)-
5-amino-1-[(S)-1,3-benzoxazol-2-
yl(hydroxy)methyl]pentyl}carbamoyl)-
4-[(4-methylbenzyl)oxy]pyrrolidin-
1-yl}carbonyl)-3-phenylpropyl]carbamate
B3E0P0.78
0412-(3-FLUORO-4-HYDROXYPHENYL)-7-
VINYL-1,3-BENZOXAZOL-5-OL
A,B1X7B0.73
T19PHENYLMETHYLENECARBOXY-(METHYLENEAMINO-
FORMYL-DIPHENYLMETHYL)METHY-PRO-
BOROVAL
H,I1AIX0.73
8935-CYANO-N-(2,5-DIMETHOXYBENZYL)-
6-ETHOXYPYRIDINE-2-CARBOXAMIDE
A,B2H960.75
CBB1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-
2-CARBOXYLIC ACID 3-CARBAMIMIDOYL-
BENZYLESTER
B1LPK0.72
2052-(2,6-DICHLOROPHENYL)-1,3-BENZOXAZOLE-
6-CARBOXYLIC ACID
A,B2F8I0.71
D2GN-METHYL(5-(PYRIDIN-3-YL)FURAN-
2-YL)METHANAMINE
A,B,C,D2FDV0.72
CO91-({2-[(1S)-1-AMINOETHYL]-1,3-OXAZOL-
4-YL}CARBONYL)-L-PROLYL-L-TRYPTOPHAN
A2OPY0.7
NVCN-[(2R)-2-{[(2S)-2-(1,3-benzoxazol-
2-yl)pyrrolidin-1-yl]carbonyl}hexyl]-
N-hydroxyformamide
A3E3U0.78
REW(2S,3S)-1-(4-METHOXYPHENYL)-3-(3-
(2-(5-METHYL-2-PHENYLOXAZOL-4-YL)ETHOXY)BENZYL)-
4-OXOAZETIDINE-2-CARBOXYLIC ACID
A2REW0.85
VIN12-(2-hydroxyethyl)-2-(1-methylethoxy)-
13,14-dihydronaphtho[2,1-a]pyrrolo[3,4-
c]carbazol-5(12H)-one
A3DTC0.72
5442-(1-METHYL-3-OXO-3-PHENYL-PROPYLAMINO)-
3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL-
4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID
A,D1K740.8
5442-(1-METHYL-3-OXO-3-PHENYL-PROPYLAMINO)-
3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL-
4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID
A,C,E,G1K7L0.8
5472,3-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-
B]PYRIDIN-4-AMINE
A2OF20.72
ZAA(5-{3-[2-(5-methyl-2-phenyl-1,3-
oxazol-4-yl)ethoxy]benzyl}-2-phenyl-
2H-1,2,3-triazol-4-yl)acetic acid
A3BC50.79
MR44-(1,3-BENZOXAZOL-2-YL)-2,6-DIMETHYLPHENOLA,B2QGC0.76
3382-(5-HYDROXY-NAPHTHALEN-1-YL)-1,3-
BENZOOXAZOL-6-OL
A,B1U3R0.73
L92(2S)-3-{4-[3-(5-METHYL-2-PHENYL-
1,3-OXAZOL-4-YL)PROPYL]PHENYL}-
2-(1H-PYRROL-1-YL)PROPANOIC ACID
A2Q8S0.82
208(2S)-3-(1-{[2-(2-CHLOROPHENYL)-
5-METHYL-1,3-OXAZOL-4-YL]METHYL}-
1H-INDOL-5-YL)-2-ETHOXYPROPANOIC ACID
A2GTK0.75
MR62-(3,5-DIMETHYLPHENYL)-1,3-BENZOXAZOLEA,B2QGE0.81
EHA(5-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPOXY}-
1H-INDOL-1-YL)ACETIC ACID
A2F4B0.71
337N-benzyl-1-[5-({5-tert-butyl-2-
methoxy-3-[(methylsulfonyl)amino]phenyl}carbamoyl)-
2-methylphenyl]-1H-1,2,3-triazole-
4-carboxamide
A3CTQ0.71
GNFN~2~-1,3-BENZOXAZOL-2-YL-3-CYCLOHEXYL-
N-{2-[(4-METHOXYPHENYL)AMINO]ETHYL}-
L-ALANINAMIDE
A,B2F1G0.77