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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02236826

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CLI3-(2-CARBOXY-ETHYL)-4,6-DICHLORO-
1H-INDOLE-2-CARBOXYLIC ACID
A,F1LEV0.7
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
3405-METHOXY-1,2-DIMETHYL-3-(PHENOXYMETHYL)INDOLE-
4,7-DIONE
A,B,C,D1KBO0.7
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID
C2JQ70.7
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID
B1OLN0.7
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID
A1E9W0.7
PQQPYRROLOQUINOLINE QUINONEA,B1CQ10.73
PQQPYRROLOQUINOLINE QUINONEA,B1OTW0.73
PQQPYRROLOQUINOLINE QUINONEA,B1C9U0.73
PQQPYRROLOQUINOLINE QUINONEA,C1W6S0.73
PQQPYRROLOQUINOLINE QUINONEA,B1FLG0.73
PQQPYRROLOQUINOLINE QUINONEA1KV90.73
PQQPYRROLOQUINOLINE QUINONEA,C2AD60.73
PQQPYRROLOQUINOLINE QUINONEA,B1CRU0.73
PQQPYRROLOQUINOLINE QUINONEA,C1H4I0.73
PQQPYRROLOQUINOLINE QUINONEA,C2AD70.73
PQQPYRROLOQUINOLINE QUINONEA,C2AD80.73
PQQPYRROLOQUINOLINE QUINONEA,D,I2D0V0.73
PQQPYRROLOQUINOLINE QUINONEA,C4AAH0.73
PQQPYRROLOQUINOLINE QUINONEA,C,E,G1H4J0.73
PQQPYRROLOQUINOLINE QUINONEA1KB00.73
PQQPYRROLOQUINOLINE QUINONEA1YIQ0.73
PQQPYRROLOQUINOLINE QUINONEA,C1LRW0.73
PQQPYRROLOQUINOLINE QUINONEA,C1G720.73
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
A2PH80.7
1167-[4-(4-FLUORO-PHENYL)-5-HYDROXYMETHYL-
2,6-DIISOPROPYL-PYRIDIN-3-YL]-3,5-
DIHYDROXY-HEPTANOIC ACID
A,B,C,D1HWJ0.72
IDA(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO-
INDOL-7-YL)ACETIC ACID
A,B1OXL0.76
I3A1H-INDOLE-3-CARBALDEHYDEA,B,C,D3BWL0.71
I3A1H-INDOLE-3-CARBALDEHYDEA,B2OU30.71
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.72
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
FIC5-fluoroindole-2-carboxylic acidA,B3DWS0.74
1IQ2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5-
DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE-
3-CARBOXYLIC ACID
A1Z8N0.71
3DE3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLE-
4-CARBOXYLIC ACID ETHYL ESTER
A,B1Y2C0.76
DX82-amino-6-(4-methoxyphenyl)-4-oxo-
4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-
5-carbonitrile
A,B,C,D3BMK0.71
HTRBETA-HYDROXYTRYPTOPHANEA,B1QPA0.7
HTRBETA-HYDROXYTRYPTOPHANEA,B1B800.7
HTRBETA-HYDROXYTRYPTOPHANEA1ROV0.7
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,D3CD50.71
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
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
ET03-(5-methoxy-1H-indol-3-yl)propanoic acidA,B3ET00.71
TRO2-HYDROXY-TRYPTOPHANA1KB00.7
TRO2-HYDROXY-TRYPTOPHANA1G3P0.7
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
BRFA1UUO0.71
PBG3-[5-(AMINOMETHYL)-4-(CARBOXYMETHYL)-
1H-PYRROL-3-YL]PROPANOIC ACID
A,B1E510.7
PBG3-[5-(AMINOMETHYL)-4-(CARBOXYMETHYL)-
1H-PYRROL-3-YL]PROPANOIC ACID
A1OHL0.7
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.72
VX32,3-diphenyl-1H-indole-7-carboxylic acidA3BGZ0.79
MOCCARBAMIC ACID 2,6-DIAMINO-5-METHYL-
4,7-DIOXO-2,3,4,7-TETRAHYDRO-1H-
3A-AZA-CYCLOPENTA[A]INDEN-8-YLMETHYL ESTER
A199D0.72
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
T19PHENYLMETHYLENECARBOXY-(METHYLENEAMINO-
FORMYL-DIPHENYLMETHYL)METHY-PRO-
BOROVAL
H,I1AIX0.72
8CA9-benzyl-2,3,4,9-tetrahydro-1H-
carbazole-8-carboxylic acid
A3FR20.75
BRE2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-
QUINOLINE-4-CARBOXYLIC ACID
A1D3G0.72
C80(2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-
BENZYL-1H-INDOLE-3-CARBOXYLATE
C,O2V110.73
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
PHOPHEOPHYTIN AA,B,C,D,F,H,
K,L,T,V,Z
3A0H0.75
PHOPHEOPHYTIN AZ1W5C0.75
PHOPHEOPHYTIN AA,B,C,D,F,H,
I,K,L,M,T,V,X
2AXT0.75
PHOPHEOPHYTIN AA,B,C,D,E,H,
J,K,L,T,V,Z
3A0B0.75
PHOPHEOPHYTIN AA,B,C,D,E,F,
H,I,J,K,M,O,
T,V,Z
3BZ10.75
PHOPHEOPHYTIN A0,A,B,C,D,E,
G,J,K,L,M,N,
P,R,V,W
1IZL0.75
PHOPHEOPHYTIN AA,B,C,D,E,F,
J,K,V
1S5L0.75
PHOPHEOPHYTIN AA,B,C,D,F,G,
H,I,J,K,L,M,
O,P,Q,R
1ILX0.75
PHOPHEOPHYTIN AA,B,C,D,F,G,
H,I,J,K,L,M,
O,P,Q,R
1FE10.75
PHOPHEOPHYTIN AA,B,C,D,E,F,
H,I,J,K,L,M,
O,T,V,X,Z
3BZ20.75
225FELODIPINEA2NNJ0.76
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
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.79