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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01544189

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3IL3-(INDOL-3-YL) LACTATEA2A7P0.71
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDA,B,C,D1XES0.7
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDB,C,D1XET0.7
HTRBETA-HYDROXYTRYPTOPHANEA,B1QPA0.71
HTRBETA-HYDROXYTRYPTOPHANEA,B1B800.71
HTRBETA-HYDROXYTRYPTOPHANEA1ROV0.71
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.73
CBB1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-
2-CARBOXYLIC ACID 3-CARBAMIMIDOYL-
BENZYLESTER
B1LPK0.76
2S8(2S)-8-[(tert-butoxycarbonyl)amino]-
2-(1H-indol-3-yl)octanoic acid
B3C6N0.71
5702-(2-BENZOYL-PHENYLAMINO)-3-{4-
[2-(5-METHYL-2-PHENYL-OXAZOL-4-
YL)-ETHOXY]-PHENYL}-PROPIONIC ACID
A,D1RDT0.71
5702-(2-BENZOYL-PHENYLAMINO)-3-{4-
[2-(5-METHYL-2-PHENYL-OXAZOL-4-
YL)-ETHOXY]-PHENYL}-PROPIONIC ACID
A,D1FM90.71
CRR3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-
2,5-DICARBOXYLIC ACID
A2Z3U0.71
3405-METHOXY-1,2-DIMETHYL-3-(PHENOXYMETHYL)INDOLE-
4,7-DIONE
A,B,C,D1KBO0.77
225FELODIPINEA2NNJ0.73
6IN4-(1-BENZYL-3-CARBAMOYLMETHYL-2-
METHYL-1H-INDOL-5-YLOXY)-BUTYRIC ACID
A1DB50.72
882(3R,5R)-7-[5-(ANILINOCARBONYL)-
3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL-
1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID
A,C,D2Q1L0.71
882(3R,5R)-7-[5-(ANILINOCARBONYL)-
3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL-
1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID
A,C,D3CD70.71
CMM2-[2-(1-CARBAMIMIDOYL-PIPERIDIN-
3-YL)-ACETYLAMINO]-3-{4-[2-(3-OXALYL-
1H-INDOL-7-YL)ETHYL]-PHENYL}-PROPIONIC ACID METHYL ESTER
A,B1M490.7
ONO2-[2-({[4-(DIAMINOMETHYL)PHENYL]AMINO}CARBONYL)-
6-METHOXYPYRIDIN-3-YL]-5-{[(1-FORMYL-
2,2-DIMETHYLPROPYL)AMINO]CARBONYL}BENZOIC ACID
A2AYW0.73
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
B,C,D,F,G,H,
J,K,L,N,O,P
2GC40.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
A,B,H,L,M2J550.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
D,H2Q7Q0.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
A,G1JMZ0.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
B,C,E,G,I2H470.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
A,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1MG20.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
B,D,F,H,J,L,
N,P
2GC70.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
D,H2OJY0.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
D,H2IUP0.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
D,H2AGX0.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
A,D,H2HJ40.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
D,H2HKR0.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
D,H2AGZ0.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
B,C,E,F2H3X0.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
A,B,D,H2IUQ0.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
A,G1JMX0.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
A,D,H2HJB0.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
A,C,H,L2MTA0.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
A,D,H2OIZ0.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
A,B,L,M3C750.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
D,H2AH00.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
A,B,C1JJU0.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
A,B,L,M1MDA0.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
D,H2HKM0.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
D,H2AGY0.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
L,M2BBK0.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
L2MAD0.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
D,H2AGL0.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
B,C,E2IAA0.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
D,H2AH10.71
I4A5-(3-carbamoylbenzyl)-5,6,7,8,9,10-
hexahydrocyclohepta[b]indole-4-
carboxylic acid
A3FR50.7
VX32,3-diphenyl-1H-indole-7-carboxylic acidA3BGZ0.72
BPHBACTERIOPHEOPHYTIN AH,L,M1RG50.77
BPHBACTERIOPHEOPHYTIN AH,L,M2UWT0.77
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
1PYH0.77
BPHBACTERIOPHEOPHYTIN AA,B,C1Z9K0.77
BPHBACTERIOPHEOPHYTIN AH,L,M2UXK0.77
BPHBACTERIOPHEOPHYTIN AH,L,M1RY50.77
BPHBACTERIOPHEOPHYTIN AH,L,M1RZH0.77
BPHBACTERIOPHEOPHYTIN AC,H,L,M1EYS0.77
BPHBACTERIOPHEOPHYTIN AH,L,M2UWS0.77
BPHBACTERIOPHEOPHYTIN AL,M4RCR0.77
BPHBACTERIOPHEOPHYTIN AH,L,M1K6N0.77
BPHBACTERIOPHEOPHYTIN AL,M1YF60.77
BPHBACTERIOPHEOPHYTIN AH,L,M2UX50.77
BPHBACTERIOPHEOPHYTIN AH,L,M3DTS0.77
BPHBACTERIOPHEOPHYTIN AC1E140.77
BPHBACTERIOPHEOPHYTIN AH,L,M3DTA0.77
BPHBACTERIOPHEOPHYTIN AL,M1PST0.77
BPHBACTERIOPHEOPHYTIN AL,M1KBY0.77
BPHBACTERIOPHEOPHYTIN AC,H,L,M1L9B0.77
BPHBACTERIOPHEOPHYTIN AL,M2RCR0.77
BPHBACTERIOPHEOPHYTIN AL,M1PCR0.77
BPHBACTERIOPHEOPHYTIN AL,M1M3X0.77
BPHBACTERIOPHEOPHYTIN AH,L,M2HJ60.77
BPHBACTERIOPHEOPHYTIN AH,L,M,R,S,T1DS80.77
BPHBACTERIOPHEOPHYTIN AH,L,M1FNQ0.77
BPHBACTERIOPHEOPHYTIN AH,L,M2UXJ0.77
BPHBACTERIOPHEOPHYTIN AL,M1QOV0.77
BPHBACTERIOPHEOPHYTIN AH,L,M3DU30.77
BPHBACTERIOPHEOPHYTIN AH,L,M2UX40.77
BPHBACTERIOPHEOPHYTIN AL,M,R,S1AIJ0.77
BPHBACTERIOPHEOPHYTIN AL,M,N,O1AIG0.77
BPHBACTERIOPHEOPHYTIN AH,L,M1RGN0.77
BPHBACTERIOPHEOPHYTIN AL,M1JGX0.77
BPHBACTERIOPHEOPHYTIN AH,L,M2UWV0.77
BPHBACTERIOPHEOPHYTIN AH,L,M1RQK0.77
BPHBACTERIOPHEOPHYTIN AH,L,M,R,S,T1DV60.77
BPHBACTERIOPHEOPHYTIN AH,L,M2UWW0.77
BPHBACTERIOPHEOPHYTIN AL,M,R,S1RZZ0.77
BPHBACTERIOPHEOPHYTIN AL,M,R,S1S000.77
BPHBACTERIOPHEOPHYTIN AH,L,M2HG30.77
BPHBACTERIOPHEOPHYTIN AH,L,M2UX30.77
BPHBACTERIOPHEOPHYTIN AL,M1OGV0.77
BPHBACTERIOPHEOPHYTIN AH,L,M3DUQ0.77
BPHBACTERIOPHEOPHYTIN AA,B1Z9J0.77
BPHBACTERIOPHEOPHYTIN AH,L,M2GNU0.77
BPHBACTERIOPHEOPHYTIN AC1E6D0.77
BPHBACTERIOPHEOPHYTIN AL,M1MPS0.77
BPHBACTERIOPHEOPHYTIN AL,M,X2UXM0.77
BPHBACTERIOPHEOPHYTIN AH,L,M1RVJ0.77
BPHBACTERIOPHEOPHYTIN AH,L,M2UXL0.77
BPHBACTERIOPHEOPHYTIN AC,D,L,M,R,S1L9J0.77
BPHBACTERIOPHEOPHYTIN AL,M2JJ00.77
BPHBACTERIOPHEOPHYTIN AL,M1JH00.77
BPHBACTERIOPHEOPHYTIN AH,L,M2GMR0.77
BPHBACTERIOPHEOPHYTIN AH,L,M3DU20.77
BPHBACTERIOPHEOPHYTIN AL,M1PSS0.77
BPHBACTERIOPHEOPHYTIN AH,L,M2HG90.77
BPHBACTERIOPHEOPHYTIN AH,L,M2HIT0.77
BPHBACTERIOPHEOPHYTIN AH,L,M2JIY0.77
BPHBACTERIOPHEOPHYTIN AH,L,M2UWU0.77
BPHBACTERIOPHEOPHYTIN AL,M1JGZ0.77
BPHBACTERIOPHEOPHYTIN AH,L,M2J8C0.77
BPHBACTERIOPHEOPHYTIN AH,L,M,R,S,T1DV30.77
BPHBACTERIOPHEOPHYTIN AH,L,M3DSY0.77
BPHBACTERIOPHEOPHYTIN AH,L,M1F6N0.77
BPHBACTERIOPHEOPHYTIN AH,L,M1FNP0.77
BPHBACTERIOPHEOPHYTIN AH,L,M1K6L0.77
BPHBACTERIOPHEOPHYTIN AH,L,M2HHK0.77
BPHBACTERIOPHEOPHYTIN AL,M1JGW0.77
BPHBACTERIOPHEOPHYTIN AH,L,M2J8D0.77
BPHBACTERIOPHEOPHYTIN AL,M1YST0.77
BPHBACTERIOPHEOPHYTIN AH,L,M3DTR0.77
BPHBACTERIOPHEOPHYTIN AL,M1JGY0.77
BPHBACTERIOPHEOPHYTIN AH,L,M2HH10.77
ARH3-(HYDROXYMETHYL)-1-METHYL-5-(2-
METHYLAZIRIDIN-1-YL)-2-PHENYL-1H-
INDOLE-4,7-DIONE
A,B,C,D1H690.76
FIC5-fluoroindole-2-carboxylic acidA,B3DWS0.73
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,D3CD50.73
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
1177-[2-(4-FLUORO-PHENYL)-5-ISOPROPYL-
3-PHENYL-4-PHENYLCARBAMOYL-PYRROL-
1-YL]- 3,5-DIHYDROXY-HEPTANOIC ACID
A,B,C,D1HWK0.72
BPBBACTERIOPHEOPHYTIN BC,H,L,M3PRC0.77
BPBBACTERIOPHEOPHYTIN BC,H,L,M6PRC0.77
BPBBACTERIOPHEOPHYTIN BH,L,M1RY50.77
BPBBACTERIOPHEOPHYTIN BH,L,M1RZH0.77
BPBBACTERIOPHEOPHYTIN BL,M,R,S1RZZ0.77
BPBBACTERIOPHEOPHYTIN BL,M,R,S1S000.77
BPBBACTERIOPHEOPHYTIN BC,H,L,M2JBL0.77
BPBBACTERIOPHEOPHYTIN BC,H,L,M1VRN0.77
BPBBACTERIOPHEOPHYTIN BC,H,L,M7PRC0.77
BPBBACTERIOPHEOPHYTIN BC,H,L,M2PRC0.77
BPBBACTERIOPHEOPHYTIN BH,L,M1UMX0.77
BPBBACTERIOPHEOPHYTIN BC,H,L,M1R2C0.77
BPBBACTERIOPHEOPHYTIN BC,H,L,M3D380.77
BPBBACTERIOPHEOPHYTIN BC,H,L,M2I5N0.77
BPBBACTERIOPHEOPHYTIN BC,H,L,M5PRC0.77
BPBBACTERIOPHEOPHYTIN BC,H,L,M1PRC0.77
BPBBACTERIOPHEOPHYTIN BH,L,M1RVJ0.77
BPBBACTERIOPHEOPHYTIN BC,H,L,M,U1DXR0.77
OAI6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACIDA1C830.74
1IQ2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5-
DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE-
3-CARBOXYLIC ACID
A1Z8N0.71
PQQPYRROLOQUINOLINE QUINONEA,B1CQ10.78
PQQPYRROLOQUINOLINE QUINONEA,B1OTW0.78
PQQPYRROLOQUINOLINE QUINONEA,B1C9U0.78
PQQPYRROLOQUINOLINE QUINONEA,C1W6S0.78
PQQPYRROLOQUINOLINE QUINONEA,B1FLG0.78
PQQPYRROLOQUINOLINE QUINONEA1KV90.78
PQQPYRROLOQUINOLINE QUINONEA,C2AD60.78
PQQPYRROLOQUINOLINE QUINONEA,B1CRU0.78
PQQPYRROLOQUINOLINE QUINONEA,C1H4I0.78
PQQPYRROLOQUINOLINE QUINONEA,C2AD70.78
PQQPYRROLOQUINOLINE QUINONEA,C2AD80.78
PQQPYRROLOQUINOLINE QUINONEA,D,I2D0V0.78
PQQPYRROLOQUINOLINE QUINONEA,C4AAH0.78
PQQPYRROLOQUINOLINE QUINONEA,C,E,G1H4J0.78
PQQPYRROLOQUINOLINE QUINONEA1KB00.78
PQQPYRROLOQUINOLINE QUINONEA1YIQ0.78
PQQPYRROLOQUINOLINE QUINONEA,C1LRW0.78
PQQPYRROLOQUINOLINE QUINONEA,C1G720.78
BH1BACTERIOPHEOPHYTINH,L,M2BOZ0.75
BH1BACTERIOPHEOPHYTINA,B2BNS0.75
BH1BACTERIOPHEOPHYTINA,B2BNP0.75
9365-METHOXY-1,2-DIMETHYL-3-(4-NITROPHENOXYMETHYL)INDOLE-
4,7-DIONE
A,B,C,D1KBQ0.76
I3N1-BENZYL-5-METHOXY-2-METHYL-1H-
INDOL-3-YL)-ACETIC ACID
A1DCY0.7
PHOPHEOPHYTIN AA,B,C,D,F,H,
K,L,T,V,Z
3A0H0.77
PHOPHEOPHYTIN AZ1W5C0.77
PHOPHEOPHYTIN AA,B,C,D,F,H,
I,K,L,M,T,V,X
2AXT0.77
PHOPHEOPHYTIN AA,B,C,D,E,H,
J,K,L,T,V,Z
3A0B0.77
PHOPHEOPHYTIN AA,B,C,D,E,F,
H,I,J,K,M,O,
T,V,Z
3BZ10.77
PHOPHEOPHYTIN A0,A,B,C,D,E,
G,J,K,L,M,N,
P,R,V,W
1IZL0.77
PHOPHEOPHYTIN AA,B,C,D,E,F,
J,K,V
1S5L0.77
PHOPHEOPHYTIN AA,B,C,D,F,G,
H,I,J,K,L,M,
O,P,Q,R
1ILX0.77
PHOPHEOPHYTIN AA,B,C,D,F,G,
H,I,J,K,L,M,
O,P,Q,R
1FE10.77
PHOPHEOPHYTIN AA,B,C,D,E,F,
H,I,J,K,L,M,
O,T,V,X,Z
3BZ20.77
CLI3-(2-CARBOXY-ETHYL)-4,6-DICHLORO-
1H-INDOLE-2-CARBOXYLIC ACID
A,F1LEV0.71
MOCCARBAMIC ACID 2,6-DIAMINO-5-METHYL-
4,7-DIOXO-2,3,4,7-TETRAHYDRO-1H-
3A-AZA-CYCLOPENTA[A]INDEN-8-YLMETHYL ESTER
A199D0.74
E093-HYDROXYMETHYL-5-AZIRIDINYL-1METHYL-
2-[1H-INDOLE-4,7-DIONE]-PROPANOL
A,B,C,D1GG50.75
BIN2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-
1-ETHYL-5-ISOPROPOXYCARBONYL-6-
METHYL-PYRIDINIUM
A1C8L0.75
BIN2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-
1-ETHYL-5-ISOPROPOXYCARBONYL-6-
METHYL-PYRIDINIUM
A2AMV0.75
BIN2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-
1-ETHYL-5-ISOPROPOXYCARBONYL-6-
METHYL-PYRIDINIUM
A3AMV0.75
SU13-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL-
2-YL)METHYLENE]-2-INDOLINONE
A,B1FGI0.71
T19PHENYLMETHYLENECARBOXY-(METHYLENEAMINO-
FORMYL-DIPHENYLMETHYL)METHY-PRO-
BOROVAL
H,I1AIX0.73
IDA(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO-
INDOL-7-YL)ACETIC ACID
A,B1OXL0.7
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
IMM1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-
3-ACETIC ACID
A,B1PGF0.71
IMM1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-
3-ACETIC ACID
A,B1PGG0.71
DPYA,B1JES0.7
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.7