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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03838287

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
A465-chloro-N-{4-[(1R)-1,2-dihydroxyethyl]phenyl}-
1H-indole-2-carboxamide
A,B2ZB20.7
B49N-[2-(diethylamino)ethyl]-5-[(Z)-
(5-fluoro-2-oxo-1,2-dihydro-3H-
indol-3-ylidene)methyl]-2,4-dimethyl-
1H-pyrrole-3-carboxamide
A,B3G0F0.7
B49N-[2-(diethylamino)ethyl]-5-[(Z)-
(5-fluoro-2-oxo-1,2-dihydro-3H-
indol-3-ylidene)methyl]-2,4-dimethyl-
1H-pyrrole-3-carboxamide
A3G0E0.7
PHOPHEOPHYTIN AA,B,C,D,F,H,
K,L,T,V,Z
3A0H0.79
PHOPHEOPHYTIN AZ1W5C0.79
PHOPHEOPHYTIN AA,B,C,D,F,H,
I,K,L,M,T,V,X
2AXT0.79
PHOPHEOPHYTIN AA,B,C,D,E,H,
J,K,L,T,V,Z
3A0B0.79
PHOPHEOPHYTIN AA,B,C,D,E,F,
H,I,J,K,M,O,
T,V,Z
3BZ10.79
PHOPHEOPHYTIN A0,A,B,C,D,E,
G,J,K,L,M,N,
P,R,V,W
1IZL0.79
PHOPHEOPHYTIN AA,B,C,D,E,F,
J,K,V
1S5L0.79
PHOPHEOPHYTIN AA,B,C,D,F,G,
H,I,J,K,L,M,
O,P,Q,R
1ILX0.79
PHOPHEOPHYTIN AA,B,C,D,F,G,
H,I,J,K,L,M,
O,P,Q,R
1FE10.79
PHOPHEOPHYTIN AA,B,C,D,E,F,
H,I,J,K,L,M,
O,T,V,X,Z
3BZ20.79
241(2S)-2-(3-{[1-(4-METHOXYBENZOYL)-
2-METHYL-5-(TRIFLUOROMETHOXY)-1H-
INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID
A,B2Q5P0.71
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.74
FIC5-fluoroindole-2-carboxylic acidA,B3DWS0.72
8249-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE-
1,3(2H,6H)-DIONE
A1X8B0.72
KAWN-{(5S)-4,4-dihydroxy-6-phenyl-
5-[(phenylcarbonyl)amino]hexanoyl}-
L-tryptophan
A3BKL0.71
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDA,B,C,D1XES0.72
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDB,C,D1XET0.72
240(2S)-2-(2-{[1-(4-METHOXYBENZOYL)-
2-METHYL-5-(TRIFLUOROMETHOXY)-1H-
INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID
A,B2Q590.7
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.72
OAI6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACIDA1C830.73
BPBBACTERIOPHEOPHYTIN BC,H,L,M3PRC0.78
BPBBACTERIOPHEOPHYTIN BC,H,L,M6PRC0.78
BPBBACTERIOPHEOPHYTIN BH,L,M1RY50.78
BPBBACTERIOPHEOPHYTIN BH,L,M1RZH0.78
BPBBACTERIOPHEOPHYTIN BL,M,R,S1RZZ0.78
BPBBACTERIOPHEOPHYTIN BL,M,R,S1S000.78
BPBBACTERIOPHEOPHYTIN BC,H,L,M2JBL0.78
BPBBACTERIOPHEOPHYTIN BC,H,L,M1VRN0.78
BPBBACTERIOPHEOPHYTIN BC,H,L,M7PRC0.78
BPBBACTERIOPHEOPHYTIN BC,H,L,M2PRC0.78
BPBBACTERIOPHEOPHYTIN BH,L,M1UMX0.78
BPBBACTERIOPHEOPHYTIN BC,H,L,M1R2C0.78
BPBBACTERIOPHEOPHYTIN BC,H,L,M3D380.78
BPBBACTERIOPHEOPHYTIN BC,H,L,M2I5N0.78
BPBBACTERIOPHEOPHYTIN BC,H,L,M5PRC0.78
BPBBACTERIOPHEOPHYTIN BC,H,L,M1PRC0.78
BPBBACTERIOPHEOPHYTIN BH,L,M1RVJ0.78
BPBBACTERIOPHEOPHYTIN BC,H,L,M,U1DXR0.78
F8A9-[2-(trifluoromethyl)benzyl]-2,3,4,9-
tetrahydro-1H-carbazole-8-carboxylic acid
A3FR40.7
IQZ(12bS)-1,2,3,4,12,12b-hexahydroindolo[2,3-
a]quinolizin-7(6H)-one
A1S1J0.7
IAC1H-INDOL-3-YLACETIC ACIDB2P1Q0.72
IAC1H-INDOL-3-YLACETIC ACIDA2OYF0.72
IAC1H-INDOL-3-YLACETIC ACIDA,B3FVU0.72
IAC1H-INDOL-3-YLACETIC ACIDB2P1P0.72
BH1BACTERIOPHEOPHYTINH,L,M2BOZ0.73
BH1BACTERIOPHEOPHYTINA,B2BNS0.73
BH1BACTERIOPHEOPHYTINA,B2BNP0.73
BPHBACTERIOPHEOPHYTIN AH,L,M1RG50.78
BPHBACTERIOPHEOPHYTIN AH,L,M2UWT0.78
BPHBACTERIOPHEOPHYTIN A1,2,3,5,6,7,
8,A,B,D,E,F,
G,H,I,J,K,L,
M,N,P,R,S,T,
U,V,W,Y
1PYH0.78
BPHBACTERIOPHEOPHYTIN AA,B,C1Z9K0.78
BPHBACTERIOPHEOPHYTIN AH,L,M2UXK0.78
BPHBACTERIOPHEOPHYTIN AH,L,M1RY50.78
BPHBACTERIOPHEOPHYTIN AH,L,M1RZH0.78
BPHBACTERIOPHEOPHYTIN AC,H,L,M1EYS0.78
BPHBACTERIOPHEOPHYTIN AH,L,M2UWS0.78
BPHBACTERIOPHEOPHYTIN AL,M4RCR0.78
BPHBACTERIOPHEOPHYTIN AH,L,M1K6N0.78
BPHBACTERIOPHEOPHYTIN AL,M1YF60.78
BPHBACTERIOPHEOPHYTIN AH,L,M2UX50.78
BPHBACTERIOPHEOPHYTIN AH,L,M3DTS0.78
BPHBACTERIOPHEOPHYTIN AC1E140.78
BPHBACTERIOPHEOPHYTIN AH,L,M3DTA0.78
BPHBACTERIOPHEOPHYTIN AL,M1PST0.78
BPHBACTERIOPHEOPHYTIN AL,M1KBY0.78
BPHBACTERIOPHEOPHYTIN AC,H,L,M1L9B0.78
BPHBACTERIOPHEOPHYTIN AL,M2RCR0.78
BPHBACTERIOPHEOPHYTIN AL,M1PCR0.78
BPHBACTERIOPHEOPHYTIN AL,M1M3X0.78
BPHBACTERIOPHEOPHYTIN AH,L,M2HJ60.78
BPHBACTERIOPHEOPHYTIN AH,L,M,R,S,T1DS80.78
BPHBACTERIOPHEOPHYTIN AH,L,M1FNQ0.78
BPHBACTERIOPHEOPHYTIN AH,L,M2UXJ0.78
BPHBACTERIOPHEOPHYTIN AL,M1QOV0.78
BPHBACTERIOPHEOPHYTIN AH,L,M3DU30.78
BPHBACTERIOPHEOPHYTIN AH,L,M2UX40.78
BPHBACTERIOPHEOPHYTIN AL,M,R,S1AIJ0.78
BPHBACTERIOPHEOPHYTIN AL,M,N,O1AIG0.78
BPHBACTERIOPHEOPHYTIN AH,L,M1RGN0.78
BPHBACTERIOPHEOPHYTIN AL,M1JGX0.78
BPHBACTERIOPHEOPHYTIN AH,L,M2UWV0.78
BPHBACTERIOPHEOPHYTIN AH,L,M1RQK0.78
BPHBACTERIOPHEOPHYTIN AH,L,M,R,S,T1DV60.78
BPHBACTERIOPHEOPHYTIN AH,L,M2UWW0.78
BPHBACTERIOPHEOPHYTIN AL,M,R,S1RZZ0.78
BPHBACTERIOPHEOPHYTIN AL,M,R,S1S000.78
BPHBACTERIOPHEOPHYTIN AH,L,M2HG30.78
BPHBACTERIOPHEOPHYTIN AH,L,M2UX30.78
BPHBACTERIOPHEOPHYTIN AL,M1OGV0.78
BPHBACTERIOPHEOPHYTIN AH,L,M3DUQ0.78
BPHBACTERIOPHEOPHYTIN AA,B1Z9J0.78
BPHBACTERIOPHEOPHYTIN AH,L,M2GNU0.78
BPHBACTERIOPHEOPHYTIN AC1E6D0.78
BPHBACTERIOPHEOPHYTIN AL,M1MPS0.78
BPHBACTERIOPHEOPHYTIN AL,M,X2UXM0.78
BPHBACTERIOPHEOPHYTIN AH,L,M1RVJ0.78
BPHBACTERIOPHEOPHYTIN AH,L,M2UXL0.78
BPHBACTERIOPHEOPHYTIN AC,D,L,M,R,S1L9J0.78
BPHBACTERIOPHEOPHYTIN AL,M2JJ00.78
BPHBACTERIOPHEOPHYTIN AL,M1JH00.78
BPHBACTERIOPHEOPHYTIN AH,L,M2GMR0.78
BPHBACTERIOPHEOPHYTIN AH,L,M3DU20.78
BPHBACTERIOPHEOPHYTIN AL,M1PSS0.78
BPHBACTERIOPHEOPHYTIN AH,L,M2HG90.78
BPHBACTERIOPHEOPHYTIN AH,L,M2HIT0.78
BPHBACTERIOPHEOPHYTIN AH,L,M2JIY0.78
BPHBACTERIOPHEOPHYTIN AH,L,M2UWU0.78
BPHBACTERIOPHEOPHYTIN AL,M1JGZ0.78
BPHBACTERIOPHEOPHYTIN AH,L,M2J8C0.78
BPHBACTERIOPHEOPHYTIN AH,L,M,R,S,T1DV30.78
BPHBACTERIOPHEOPHYTIN AH,L,M3DSY0.78
BPHBACTERIOPHEOPHYTIN AH,L,M1F6N0.78
BPHBACTERIOPHEOPHYTIN AH,L,M1FNP0.78
BPHBACTERIOPHEOPHYTIN AH,L,M1K6L0.78
BPHBACTERIOPHEOPHYTIN AH,L,M2HHK0.78
BPHBACTERIOPHEOPHYTIN AL,M1JGW0.78
BPHBACTERIOPHEOPHYTIN AH,L,M2J8D0.78
BPHBACTERIOPHEOPHYTIN AL,M1YST0.78
BPHBACTERIOPHEOPHYTIN AH,L,M3DTR0.78
BPHBACTERIOPHEOPHYTIN AL,M1JGY0.78
BPHBACTERIOPHEOPHYTIN AH,L,M2HH10.78
PQQPYRROLOQUINOLINE QUINONEA,B1CQ10.7
PQQPYRROLOQUINOLINE QUINONEA,B1OTW0.7
PQQPYRROLOQUINOLINE QUINONEA,B1C9U0.7
PQQPYRROLOQUINOLINE QUINONEA,C1W6S0.7
PQQPYRROLOQUINOLINE QUINONEA,B1FLG0.7
PQQPYRROLOQUINOLINE QUINONEA1KV90.7
PQQPYRROLOQUINOLINE QUINONEA,C2AD60.7
PQQPYRROLOQUINOLINE QUINONEA,B1CRU0.7
PQQPYRROLOQUINOLINE QUINONEA,C1H4I0.7
PQQPYRROLOQUINOLINE QUINONEA,C2AD70.7
PQQPYRROLOQUINOLINE QUINONEA,C2AD80.7
PQQPYRROLOQUINOLINE QUINONEA,D,I2D0V0.7
PQQPYRROLOQUINOLINE QUINONEA,C4AAH0.7
PQQPYRROLOQUINOLINE QUINONEA,C,E,G1H4J0.7
PQQPYRROLOQUINOLINE QUINONEA1KB00.7
PQQPYRROLOQUINOLINE QUINONEA1YIQ0.7
PQQPYRROLOQUINOLINE QUINONEA,C1LRW0.7
PQQPYRROLOQUINOLINE QUINONEA,C1G720.7
IMM1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-
3-ACETIC ACID
A,B1PGF0.72
IMM1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-
3-ACETIC ACID
A,B1PGG0.72
3063-[5-(PIPERIDIN-1-YLMETHYL)-1H-
INDOL-2-YL]-6-(1H-PYRAZOL-4-YL)QUINOLIN-
2(1H)-ONE
A2HY00.71
6IN4-(1-BENZYL-3-CARBAMOYLMETHYL-2-
METHYL-1H-INDOL-5-YLOXY)-BUTYRIC ACID
A1DB50.71
PDS3-{1-[3-(DIMETHYLAMINO)PROPYL]-
2-METHYL-1H-INDOL-3-YL}-4-(2-METHYL-
1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE
A,B2I0E0.71
AIZ3-{6-[(2-CHLOROPHENYL)AMINO]-1H-
INDAZOL-3-YL}-5-{[4-(DIMETHYLAMINO)BUTANOYL]AMINO}BENZOIC ACID
A2B1P0.71
DRK3-({[(3S)-3,4-dihydroxybutyl]oxy}amino)-
1H,2'H-2,3'-biindol-2'-one
A3F3Z0.7
DRK3-({[(3S)-3,4-dihydroxybutyl]oxy}amino)-
1H,2'H-2,3'-biindol-2'-one
A,C3EB00.7
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.73
2S8(2S)-8-[(tert-butoxycarbonyl)amino]-
2-(1H-indol-3-yl)octanoic acid
B3C6N0.72
CRR3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-
2,5-DICARBOXYLIC ACID
A2Z3U0.72
SU13-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL-
2-YL)METHYLENE]-2-INDOLINONE
A,B1FGI0.71
UP3A3D8N0.71
8CA9-benzyl-2,3,4,9-tetrahydro-1H-
carbazole-8-carboxylic acid
A3FR20.72
IQA(5-OXO-5,6-DIHYDRO-INDOLO[1,2-A]QUINAZOLIN-
7-YL)-ACETIC ACID
A1OM10.72
3IL3-(INDOL-3-YL) LACTATEA2A7P0.72
SNX2-[(2-methoxyethyl)amino]-4-(4-
oxo-1,2,3,4-tetrahydro-9H-carbazol-
9-yl)benzamide
A3D0B0.75
I3A1H-INDOLE-3-CARBALDEHYDEA,B,C,D3BWL0.7
I3A1H-INDOLE-3-CARBALDEHYDEA,B2OU30.7
CMM2-[2-(1-CARBAMIMIDOYL-PIPERIDIN-
3-YL)-ACETYLAMINO]-3-{4-[2-(3-OXALYL-
1H-INDOL-7-YL)ETHYL]-PHENYL}-PROPIONIC ACID METHYL ESTER
A,B1M490.71
3DE3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLE-
4-CARBOXYLIC ACID ETHYL ESTER
A,B1Y2C0.72
I4A5-(3-carbamoylbenzyl)-5,6,7,8,9,10-
hexahydrocyclohepta[b]indole-4-
carboxylic acid
A3FR50.71
C80(2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-
BENZYL-1H-INDOLE-3-CARBOXYLATE
C,O2V110.73
T4BA2NNQ0.7
VX32,3-diphenyl-1H-indole-7-carboxylic acidA3BGZ0.76
CBB1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-
2-CARBOXYLIC ACID 3-CARBAMIMIDOYL-
BENZYLESTER
B1LPK0.74
IDA(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO-
INDOL-7-YL)ACETIC ACID
A,B1OXL0.75
5DE1-(4-AMINOPHENYL)-3,5-DIMETHYL-
1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
A,B1Y2E0.71
I3N1-BENZYL-5-METHOXY-2-METHYL-1H-
INDOL-3-YL)-ACETIC ACID
A1DCY0.71