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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00535070

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
F8A9-[2-(trifluoromethyl)benzyl]-2,3,4,9-
tetrahydro-1H-carbazole-8-carboxylic acid
A3FR40.73
I4A5-(3-carbamoylbenzyl)-5,6,7,8,9,10-
hexahydrocyclohepta[b]indole-4-
carboxylic acid
A3FR50.73
7HI(3R,5R)-7-[3-(biphenyl-4-ylcarbamoyl)-
2-ethyl-5,6,7,8-tetrahydrocyclohepta[b]pyrrol-
1(4H)-yl]-3,5-dihydroxyheptanoic acid
A,B,C,D3CD50.72
5Z55-[(Z)-(5-CHLORO-2-OXO-1,2-DIHYDRO-
3H-INDOL-3-YLIDENE)METHYL]-N-(DIETHYLAMINO)ETHYL]-
2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE
A2JAV0.7
PHOPHEOPHYTIN AA,B,C,D,F,H,
K,L,T,V,Z
3A0H0.76
PHOPHEOPHYTIN AZ1W5C0.76
PHOPHEOPHYTIN AA,B,C,D,F,H,
I,K,L,M,T,V,X
2AXT0.76
PHOPHEOPHYTIN AA,B,C,D,E,H,
J,K,L,T,V,Z
3A0B0.76
PHOPHEOPHYTIN AA,B,C,D,E,F,
H,I,J,K,M,O,
T,V,Z
3BZ10.76
PHOPHEOPHYTIN A0,A,B,C,D,E,
G,J,K,L,M,N,
P,R,V,W
1IZL0.76
PHOPHEOPHYTIN AA,B,C,D,E,F,
J,K,V
1S5L0.76
PHOPHEOPHYTIN AA,B,C,D,F,G,
H,I,J,K,L,M,
O,P,Q,R
1ILX0.76
PHOPHEOPHYTIN AA,B,C,D,F,G,
H,I,J,K,L,M,
O,P,Q,R
1FE10.76
PHOPHEOPHYTIN AA,B,C,D,E,F,
H,I,J,K,L,M,
O,T,V,X,Z
3BZ20.76
I3A1H-INDOLE-3-CARBALDEHYDEA,B,C,D3BWL0.71
I3A1H-INDOLE-3-CARBALDEHYDEA,B2OU30.71
225FELODIPINEA2NNJ0.77
PQQPYRROLOQUINOLINE QUINONEA,B1CQ10.72
PQQPYRROLOQUINOLINE QUINONEA,B1OTW0.72
PQQPYRROLOQUINOLINE QUINONEA,B1C9U0.72
PQQPYRROLOQUINOLINE QUINONEA,C1W6S0.72
PQQPYRROLOQUINOLINE QUINONEA,B1FLG0.72
PQQPYRROLOQUINOLINE QUINONEA1KV90.72
PQQPYRROLOQUINOLINE QUINONEA,C2AD60.72
PQQPYRROLOQUINOLINE QUINONEA,B1CRU0.72
PQQPYRROLOQUINOLINE QUINONEA,C1H4I0.72
PQQPYRROLOQUINOLINE QUINONEA,C2AD70.72
PQQPYRROLOQUINOLINE QUINONEA,C2AD80.72
PQQPYRROLOQUINOLINE QUINONEA,D,I2D0V0.72
PQQPYRROLOQUINOLINE QUINONEA,C4AAH0.72
PQQPYRROLOQUINOLINE QUINONEA,C,E,G1H4J0.72
PQQPYRROLOQUINOLINE QUINONEA1KB00.72
PQQPYRROLOQUINOLINE QUINONEA1YIQ0.72
PQQPYRROLOQUINOLINE QUINONEA,C1LRW0.72
PQQPYRROLOQUINOLINE QUINONEA,C1G720.72
FIC5-fluoroindole-2-carboxylic acidA,B3DWS0.73
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.78
1167-[4-(4-FLUORO-PHENYL)-5-HYDROXYMETHYL-
2,6-DIISOPROPYL-PYRIDIN-3-YL]-3,5-
DIHYDROXY-HEPTANOIC ACID
A,B,C,D1HWJ0.73
1177-[2-(4-FLUORO-PHENYL)-5-ISOPROPYL-
3-PHENYL-4-PHENYLCARBAMOYL-PYRROL-
1-YL]- 3,5-DIHYDROXY-HEPTANOIC ACID
A,B,C,D1HWK0.7
MOCCARBAMIC ACID 2,6-DIAMINO-5-METHYL-
4,7-DIOXO-2,3,4,7-TETRAHYDRO-1H-
3A-AZA-CYCLOPENTA[A]INDEN-8-YLMETHYL ESTER
A199D0.71
3DE3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLE-
4-CARBOXYLIC ACID ETHYL ESTER
A,B1Y2C0.76
BRFA1UUO0.72
DX82-amino-6-(4-methoxyphenyl)-4-oxo-
4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-
5-carbonitrile
A,B,C,D3BMK0.71
AGE(2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-
1H-pyrrol-2-yl]prop-2-enamide
A,B,C3F070.7
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.71
HTRBETA-HYDROXYTRYPTOPHANEA,B1QPA0.7
HTRBETA-HYDROXYTRYPTOPHANEA,B1B800.7
HTRBETA-HYDROXYTRYPTOPHANEA1ROV0.7
BRE2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-
QUINOLINE-4-CARBOXYLIC ACID
A1D3G0.73
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,B3G0F0.71
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
A3G0E0.71
3405-METHOXY-1,2-DIMETHYL-3-(PHENOXYMETHYL)INDOLE-
4,7-DIONE
A,B,C,D1KBO0.71
VX32,3-diphenyl-1H-indole-7-carboxylic acidA3BGZ0.8
ET03-(5-methoxy-1H-indol-3-yl)propanoic acidA,B3ET00.71
35AN-[(5R,14R)-5-AMINO-5,14-DIMETHYL-
4-OXO-3-OXA-18-AZATRICYCLO[15.3.1.1~7,11~]DOCOSA-
1(21),7(22),8,10,17,19-HEXAEN-19-
YL]-N-METHYLMETHANESULFONAMIDE
A2PH80.71
TRO2-HYDROXY-TRYPTOPHANA1KB00.7
TRO2-HYDROXY-TRYPTOPHANA1G3P0.7
T19PHENYLMETHYLENECARBOXY-(METHYLENEAMINO-
FORMYL-DIPHENYLMETHYL)METHY-PRO-
BOROVAL
H,I1AIX0.73
CBB1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-
2-CARBOXYLIC ACID 3-CARBAMIMIDOYL-
BENZYLESTER
B1LPK0.72
BH1BACTERIOPHEOPHYTINH,L,M2BOZ0.76
BH1BACTERIOPHEOPHYTINA,B2BNS0.76
BH1BACTERIOPHEOPHYTINA,B2BNP0.76
3IB3-INDOLEBUTYRIC ACIDA,B2AY60.7
3IB3-INDOLEBUTYRIC ACIDA,B,C,E2GJ60.7
1IQ2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5-
DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE-
3-CARBOXYLIC ACID
A1Z8N0.72
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.72
C80(2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-
BENZYL-1H-INDOLE-3-CARBOXYLATE
C,O2V110.74
BPBBACTERIOPHEOPHYTIN BC,H,L,M3PRC0.76
BPBBACTERIOPHEOPHYTIN BC,H,L,M6PRC0.76
BPBBACTERIOPHEOPHYTIN BH,L,M1RY50.76
BPBBACTERIOPHEOPHYTIN BH,L,M1RZH0.76
BPBBACTERIOPHEOPHYTIN BL,M,R,S1RZZ0.76
BPBBACTERIOPHEOPHYTIN BL,M,R,S1S000.76
BPBBACTERIOPHEOPHYTIN BC,H,L,M2JBL0.76
BPBBACTERIOPHEOPHYTIN BC,H,L,M1VRN0.76
BPBBACTERIOPHEOPHYTIN BC,H,L,M7PRC0.76
BPBBACTERIOPHEOPHYTIN BC,H,L,M2PRC0.76
BPBBACTERIOPHEOPHYTIN BH,L,M1UMX0.76
BPBBACTERIOPHEOPHYTIN BC,H,L,M1R2C0.76
BPBBACTERIOPHEOPHYTIN BC,H,L,M3D380.76
BPBBACTERIOPHEOPHYTIN BC,H,L,M2I5N0.76
BPBBACTERIOPHEOPHYTIN BC,H,L,M5PRC0.76
BPBBACTERIOPHEOPHYTIN BC,H,L,M1PRC0.76
BPBBACTERIOPHEOPHYTIN BH,L,M1RVJ0.76
BPBBACTERIOPHEOPHYTIN BC,H,L,M,U1DXR0.76
IAC1H-INDOL-3-YLACETIC ACIDB2P1Q0.71
IAC1H-INDOL-3-YLACETIC ACIDA2OYF0.71
IAC1H-INDOL-3-YLACETIC ACIDA,B3FVU0.71
IAC1H-INDOL-3-YLACETIC ACIDB2P1P0.71
8CA9-benzyl-2,3,4,9-tetrahydro-1H-
carbazole-8-carboxylic acid
A3FR20.75
BIN2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-
1-ETHYL-5-ISOPROPOXYCARBONYL-6-
METHYL-PYRIDINIUM
A1C8L0.7
BIN2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-
1-ETHYL-5-ISOPROPOXYCARBONYL-6-
METHYL-PYRIDINIUM
A2AMV0.7
BIN2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-
1-ETHYL-5-ISOPROPOXYCARBONYL-6-
METHYL-PYRIDINIUM
A3AMV0.7
ARH3-(HYDROXYMETHYL)-1-METHYL-5-(2-
METHYLAZIRIDIN-1-YL)-2-PHENYL-1H-
INDOLE-4,7-DIONE
A,B,C,D1H690.72
BPHBACTERIOPHEOPHYTIN AH,L,M1RG50.76
BPHBACTERIOPHEOPHYTIN AH,L,M2UWT0.76
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
1PYH0.76
BPHBACTERIOPHEOPHYTIN AA,B,C1Z9K0.76
BPHBACTERIOPHEOPHYTIN AH,L,M2UXK0.76
BPHBACTERIOPHEOPHYTIN AH,L,M1RY50.76
BPHBACTERIOPHEOPHYTIN AH,L,M1RZH0.76
BPHBACTERIOPHEOPHYTIN AC,H,L,M1EYS0.76
BPHBACTERIOPHEOPHYTIN AH,L,M2UWS0.76
BPHBACTERIOPHEOPHYTIN AL,M4RCR0.76
BPHBACTERIOPHEOPHYTIN AH,L,M1K6N0.76
BPHBACTERIOPHEOPHYTIN AL,M1YF60.76
BPHBACTERIOPHEOPHYTIN AH,L,M2UX50.76
BPHBACTERIOPHEOPHYTIN AH,L,M3DTS0.76
BPHBACTERIOPHEOPHYTIN AC1E140.76
BPHBACTERIOPHEOPHYTIN AH,L,M3DTA0.76
BPHBACTERIOPHEOPHYTIN AL,M1PST0.76
BPHBACTERIOPHEOPHYTIN AL,M1KBY0.76
BPHBACTERIOPHEOPHYTIN AC,H,L,M1L9B0.76
BPHBACTERIOPHEOPHYTIN AL,M2RCR0.76
BPHBACTERIOPHEOPHYTIN AL,M1PCR0.76
BPHBACTERIOPHEOPHYTIN AL,M1M3X0.76
BPHBACTERIOPHEOPHYTIN AH,L,M2HJ60.76
BPHBACTERIOPHEOPHYTIN AH,L,M,R,S,T1DS80.76
BPHBACTERIOPHEOPHYTIN AH,L,M1FNQ0.76
BPHBACTERIOPHEOPHYTIN AH,L,M2UXJ0.76
BPHBACTERIOPHEOPHYTIN AL,M1QOV0.76
BPHBACTERIOPHEOPHYTIN AH,L,M3DU30.76
BPHBACTERIOPHEOPHYTIN AH,L,M2UX40.76
BPHBACTERIOPHEOPHYTIN AL,M,R,S1AIJ0.76
BPHBACTERIOPHEOPHYTIN AL,M,N,O1AIG0.76
BPHBACTERIOPHEOPHYTIN AH,L,M1RGN0.76
BPHBACTERIOPHEOPHYTIN AL,M1JGX0.76
BPHBACTERIOPHEOPHYTIN AH,L,M2UWV0.76
BPHBACTERIOPHEOPHYTIN AH,L,M1RQK0.76
BPHBACTERIOPHEOPHYTIN AH,L,M,R,S,T1DV60.76
BPHBACTERIOPHEOPHYTIN AH,L,M2UWW0.76
BPHBACTERIOPHEOPHYTIN AL,M,R,S1RZZ0.76
BPHBACTERIOPHEOPHYTIN AL,M,R,S1S000.76
BPHBACTERIOPHEOPHYTIN AH,L,M2HG30.76
BPHBACTERIOPHEOPHYTIN AH,L,M2UX30.76
BPHBACTERIOPHEOPHYTIN AL,M1OGV0.76
BPHBACTERIOPHEOPHYTIN AH,L,M3DUQ0.76
BPHBACTERIOPHEOPHYTIN AA,B1Z9J0.76
BPHBACTERIOPHEOPHYTIN AH,L,M2GNU0.76
BPHBACTERIOPHEOPHYTIN AC1E6D0.76
BPHBACTERIOPHEOPHYTIN AL,M1MPS0.76
BPHBACTERIOPHEOPHYTIN AL,M,X2UXM0.76
BPHBACTERIOPHEOPHYTIN AH,L,M1RVJ0.76
BPHBACTERIOPHEOPHYTIN AH,L,M2UXL0.76
BPHBACTERIOPHEOPHYTIN AC,D,L,M,R,S1L9J0.76
BPHBACTERIOPHEOPHYTIN AL,M2JJ00.76
BPHBACTERIOPHEOPHYTIN AL,M1JH00.76
BPHBACTERIOPHEOPHYTIN AH,L,M2GMR0.76
BPHBACTERIOPHEOPHYTIN AH,L,M3DU20.76
BPHBACTERIOPHEOPHYTIN AL,M1PSS0.76
BPHBACTERIOPHEOPHYTIN AH,L,M2HG90.76
BPHBACTERIOPHEOPHYTIN AH,L,M2HIT0.76
BPHBACTERIOPHEOPHYTIN AH,L,M2JIY0.76
BPHBACTERIOPHEOPHYTIN AH,L,M2UWU0.76
BPHBACTERIOPHEOPHYTIN AL,M1JGZ0.76
BPHBACTERIOPHEOPHYTIN AH,L,M2J8C0.76
BPHBACTERIOPHEOPHYTIN AH,L,M,R,S,T1DV30.76
BPHBACTERIOPHEOPHYTIN AH,L,M3DSY0.76
BPHBACTERIOPHEOPHYTIN AH,L,M1F6N0.76
BPHBACTERIOPHEOPHYTIN AH,L,M1FNP0.76
BPHBACTERIOPHEOPHYTIN AH,L,M1K6L0.76
BPHBACTERIOPHEOPHYTIN AH,L,M2HHK0.76
BPHBACTERIOPHEOPHYTIN AL,M1JGW0.76
BPHBACTERIOPHEOPHYTIN AH,L,M2J8D0.76
BPHBACTERIOPHEOPHYTIN AL,M1YST0.76
BPHBACTERIOPHEOPHYTIN AH,L,M3DTR0.76
BPHBACTERIOPHEOPHYTIN AL,M1JGY0.76
BPHBACTERIOPHEOPHYTIN AH,L,M2HH10.76
IDA(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO-
INDOL-7-YL)ACETIC ACID
A,B1OXL0.75
4DE1-(4-METHOXYPHENYL)-3,5-DIMETHYL-
1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
A,B1Y2D0.72
5DE1-(4-AMINOPHENYL)-3,5-DIMETHYL-
1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
A,B1Y2E0.76