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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00984068

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
INP4-[[N-[(PHENYLMETHOXY)CARBONYL]-
/NL/N-LEUCYL]AMINO]-1[(2S)-2-[[[4-
(PYRIDINYLMETHOXY)CARBONYL]AMINO]-
4-METHYLPENT/NYL]-3-PYRROLIDINONE/N
A1AU40.71
AGE(2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-
1H-pyrrol-2-yl]prop-2-enamide
A,B,C3F070.71
GW4N-[(2S)-2-[(2-BENZOYLPHENYL)AMINO]-
3-{4-[2-(5-METHYL-2-PHENYL-1,3-
OXAZOL-4-YL)ETHOXY]PHENYL}PROPYL]ACETAMIDE
A,B2POB0.7
5442-(1-METHYL-3-OXO-3-PHENYL-PROPYLAMINO)-
3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL-
4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID
A,D1K740.7
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,G1K7L0.7
CBB1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-
2-CARBOXYLIC ACID 3-CARBAMIMIDOYL-
BENZYLESTER
B1LPK0.81
JTPN-[(13-CYCLOHEXYL-6,7-DIHYDROINDOLO[1,2-
D][1,4]BENZOXAZEPIN-10-YL)CARBONYL]-
2-METHYL-L-ALANINE
A,B2DXS0.72
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
1177-[2-(4-FLUORO-PHENYL)-5-ISOPROPYL-
3-PHENYL-4-PHENYLCARBAMOYL-PYRROL-
1-YL]- 3,5-DIHYDROXY-HEPTANOIC ACID
A,B,C,D1HWK0.74
FIC5-fluoroindole-2-carboxylic acidA,B3DWS0.72
6IN4-(1-BENZYL-3-CARBAMOYLMETHYL-2-
METHYL-1H-INDOL-5-YLOXY)-BUTYRIC ACID
A1DB50.72
PHOPHEOPHYTIN AA,B,C,D,F,H,
K,L,T,V,Z
3A0H0.71
PHOPHEOPHYTIN AZ1W5C0.71
PHOPHEOPHYTIN AA,B,C,D,F,H,
I,K,L,M,T,V,X
2AXT0.71
PHOPHEOPHYTIN AA,B,C,D,E,H,
J,K,L,T,V,Z
3A0B0.71
PHOPHEOPHYTIN AA,B,C,D,E,F,
H,I,J,K,M,O,
T,V,Z
3BZ10.71
PHOPHEOPHYTIN A0,A,B,C,D,E,
G,J,K,L,M,N,
P,R,V,W
1IZL0.71
PHOPHEOPHYTIN AA,B,C,D,E,F,
J,K,V
1S5L0.71
PHOPHEOPHYTIN AA,B,C,D,F,G,
H,I,J,K,L,M,
O,P,Q,R
1ILX0.71
PHOPHEOPHYTIN AA,B,C,D,F,G,
H,I,J,K,L,M,
O,P,Q,R
1FE10.71
PHOPHEOPHYTIN AA,B,C,D,E,F,
H,I,J,K,L,M,
O,T,V,X,Z
3BZ20.71
ONO2-[2-({[4-(DIAMINOMETHYL)PHENYL]AMINO}CARBONYL)-
6-METHOXYPYRIDIN-3-YL]-5-{[(1-FORMYL-
2,2-DIMETHYLPROPYL)AMINO]CARBONYL}BENZOIC ACID
A2AYW0.73
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
E093-HYDROXYMETHYL-5-AZIRIDINYL-1METHYL-
2-[1H-INDOLE-4,7-DIONE]-PROPANOL
A,B,C,D1GG50.71
3405-METHOXY-1,2-DIMETHYL-3-(PHENOXYMETHYL)INDOLE-
4,7-DIONE
A,B,C,D1KBO0.74
T19PHENYLMETHYLENECARBOXY-(METHYLENEAMINO-
FORMYL-DIPHENYLMETHYL)METHY-PRO-
BOROVAL
H,I1AIX0.76
OAI6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACIDA1C830.74
I4A5-(3-carbamoylbenzyl)-5,6,7,8,9,10-
hexahydrocyclohepta[b]indole-4-
carboxylic acid
A3FR50.72
1IQ2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5-
DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE-
3-CARBOXYLIC ACID
A1Z8N0.71
SU13-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL-
2-YL)METHYLENE]-2-INDOLINONE
A,B1FGI0.73
162(2-{2-[(5-CARBAMIMIDOYL-1-METHYL-
1H-PYRROL-3-YLMETHYL)-CARBAMOYL]-
PYRROL-1-YL} -1-CYCLOHEXYLMETHYL-
2-OXO-ETHYLAMINO)-ACETIC ACID
D,H1NZQ0.7
I3N1-BENZYL-5-METHOXY-2-METHYL-1H-
INDOL-3-YL)-ACETIC ACID
A1DCY0.7
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,D3CD50.76
882(3R,5R)-7-[5-(ANILINOCARBONYL)-
3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL-
1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID
A,C,D2Q1L0.72
882(3R,5R)-7-[5-(ANILINOCARBONYL)-
3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL-
1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID
A,C,D3CD70.72
DRC9-AMINO-N-[2-(4-MORPHOLINYL)ETHYL]-
4-ACRIDINECARBOXAMIDE
A1KCI0.7
IMA[4-({[5-BENZYLOXY-1-(3-CARBAMIMIDOYL-
BENZYL)-1H-INDOLE-2-CARBONYL]-AMINO}-
METHYL)-PHENYL]-TRIMETHYL-AMMONIUM
B1LPG0.71
IMA[4-({[5-BENZYLOXY-1-(3-CARBAMIMIDOYL-
BENZYL)-1H-INDOLE-2-CARBONYL]-AMINO}-
METHYL)-PHENYL]-TRIMETHYL-AMMONIUM
A1LQE0.71
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
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
IMS2-[1-(4-CHLOROBENZOYL)-5-METHOXY-
2-METHYL-1H-INDOL-3-YL]-N-[(1S)-
1-(HYDROXYMETHYL)PROPYL]ACETAMIDE
P2OYU0.7
L92(2S)-3-{4-[3-(5-METHYL-2-PHENYL-
1,3-OXAZOL-4-YL)PROPYL]PHENYL}-
2-(1H-PYRROL-1-YL)PROPANOIC ACID
A2Q8S0.71
IM82-[1-(4-CHLOROBENZOYL)-5-METHOXY-
2-METHYL-1H-INDOL-3-YL]-N-[(1R)-
1-(HYDROXYMETHYL)PROPYL]ACETAMIDE
P2OYE0.7
POO3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN-
3-YL)METHYL]AMINO}-2-OXOETHYL)-
2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID
A2BRL0.71
AAFMETHYL 4-{[({[(2R,5S)-5-{[(2S)-
2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-
2-YL]METHYL}AMINO)CARBONYL]AMINO}BENZOATE
B2G630.71
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
T42MORPHOLINO-DIPHENYLALANINE-METHOXYPROPYLBORONIC ACIDH,I1AI80.7
ARH3-(HYDROXYMETHYL)-1-METHYL-5-(2-
METHYLAZIRIDIN-1-YL)-2-PHENYL-1H-
INDOLE-4,7-DIONE
A,B,C,D1H690.74
CMF3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-
2-OXOETHYL)-2-PHENYL-1H-INDOLE-
6-CARBOXYLIC ACID
A2BRK0.73
368(1R)-2-{[AMINO(IMINO)METHYL]AMINO}-
1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE
A1ZLR0.71
SNX2-[(2-methoxyethyl)amino]-4-(4-
oxo-1,2,3,4-tetrahydro-9H-carbazol-
9-yl)benzamide
A3D0B0.75
V25ethyl 3-[(E)-2-amino-1-cyanoethenyl]-
6,7-dichloro-1-methyl-1H-indole-
2-carboxylate
A2VAG0.73
9365-METHOXY-1,2-DIMETHYL-3-(4-NITROPHENOXYMETHYL)INDOLE-
4,7-DIONE
A,B,C,D1KBQ0.72
IIDN-(1-ISOPROPYLPIPERIDIN-4-YL)-1-
(3-METHOXYBENZYL)-1H-INDOLE-2-CARBOXAMIDE
A,B2BQ70.73
ZAM3-[(ACETYL-METHYL-AMINO)-METHYL]-
4-AMINO-N-METHYL-N-(1-METHYL-1H-
INDOL-2-YLMETHYL)-BENZAMIDE
A,B1LX60.7
BPBBACTERIOPHEOPHYTIN BC,H,L,M3PRC0.71
BPBBACTERIOPHEOPHYTIN BC,H,L,M6PRC0.71
BPBBACTERIOPHEOPHYTIN BH,L,M1RY50.71
BPBBACTERIOPHEOPHYTIN BH,L,M1RZH0.71
BPBBACTERIOPHEOPHYTIN BL,M,R,S1RZZ0.71
BPBBACTERIOPHEOPHYTIN BL,M,R,S1S000.71
BPBBACTERIOPHEOPHYTIN BC,H,L,M2JBL0.71
BPBBACTERIOPHEOPHYTIN BC,H,L,M1VRN0.71
BPBBACTERIOPHEOPHYTIN BC,H,L,M7PRC0.71
BPBBACTERIOPHEOPHYTIN BC,H,L,M2PRC0.71
BPBBACTERIOPHEOPHYTIN BH,L,M1UMX0.71
BPBBACTERIOPHEOPHYTIN BC,H,L,M1R2C0.71
BPBBACTERIOPHEOPHYTIN BC,H,L,M3D380.71
BPBBACTERIOPHEOPHYTIN BC,H,L,M2I5N0.71
BPBBACTERIOPHEOPHYTIN BC,H,L,M5PRC0.71
BPBBACTERIOPHEOPHYTIN BC,H,L,M1PRC0.71
BPBBACTERIOPHEOPHYTIN BH,L,M1RVJ0.71
BPBBACTERIOPHEOPHYTIN BC,H,L,M,U1DXR0.71
3HI(3R,5R)-7-[2-(4-fluorophenyl)-4-
[(2-hydroxyphenyl)carbamoyl]-5-
(1-methylethyl)-3-phenyl-1H-pyrrol-
1-yl]-3,5-dihydroxyheptanoic acid
B,C,D3CCT0.74
BPHBACTERIOPHEOPHYTIN AH,L,M1RG50.71
BPHBACTERIOPHEOPHYTIN AH,L,M2UWT0.71
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
1PYH0.71
BPHBACTERIOPHEOPHYTIN AA,B,C1Z9K0.71
BPHBACTERIOPHEOPHYTIN AH,L,M2UXK0.71
BPHBACTERIOPHEOPHYTIN AH,L,M1RY50.71
BPHBACTERIOPHEOPHYTIN AH,L,M1RZH0.71
BPHBACTERIOPHEOPHYTIN AC,H,L,M1EYS0.71
BPHBACTERIOPHEOPHYTIN AH,L,M2UWS0.71
BPHBACTERIOPHEOPHYTIN AL,M4RCR0.71
BPHBACTERIOPHEOPHYTIN AH,L,M1K6N0.71
BPHBACTERIOPHEOPHYTIN AL,M1YF60.71
BPHBACTERIOPHEOPHYTIN AH,L,M2UX50.71
BPHBACTERIOPHEOPHYTIN AH,L,M3DTS0.71
BPHBACTERIOPHEOPHYTIN AC1E140.71
BPHBACTERIOPHEOPHYTIN AH,L,M3DTA0.71
BPHBACTERIOPHEOPHYTIN AL,M1PST0.71
BPHBACTERIOPHEOPHYTIN AL,M1KBY0.71
BPHBACTERIOPHEOPHYTIN AC,H,L,M1L9B0.71
BPHBACTERIOPHEOPHYTIN AL,M2RCR0.71
BPHBACTERIOPHEOPHYTIN AL,M1PCR0.71
BPHBACTERIOPHEOPHYTIN AL,M1M3X0.71
BPHBACTERIOPHEOPHYTIN AH,L,M2HJ60.71
BPHBACTERIOPHEOPHYTIN AH,L,M,R,S,T1DS80.71
BPHBACTERIOPHEOPHYTIN AH,L,M1FNQ0.71
BPHBACTERIOPHEOPHYTIN AH,L,M2UXJ0.71
BPHBACTERIOPHEOPHYTIN AL,M1QOV0.71
BPHBACTERIOPHEOPHYTIN AH,L,M3DU30.71
BPHBACTERIOPHEOPHYTIN AH,L,M2UX40.71
BPHBACTERIOPHEOPHYTIN AL,M,R,S1AIJ0.71
BPHBACTERIOPHEOPHYTIN AL,M,N,O1AIG0.71
BPHBACTERIOPHEOPHYTIN AH,L,M1RGN0.71
BPHBACTERIOPHEOPHYTIN AL,M1JGX0.71
BPHBACTERIOPHEOPHYTIN AH,L,M2UWV0.71
BPHBACTERIOPHEOPHYTIN AH,L,M1RQK0.71
BPHBACTERIOPHEOPHYTIN AH,L,M,R,S,T1DV60.71
BPHBACTERIOPHEOPHYTIN AH,L,M2UWW0.71
BPHBACTERIOPHEOPHYTIN AL,M,R,S1RZZ0.71
BPHBACTERIOPHEOPHYTIN AL,M,R,S1S000.71
BPHBACTERIOPHEOPHYTIN AH,L,M2HG30.71
BPHBACTERIOPHEOPHYTIN AH,L,M2UX30.71
BPHBACTERIOPHEOPHYTIN AL,M1OGV0.71
BPHBACTERIOPHEOPHYTIN AH,L,M3DUQ0.71
BPHBACTERIOPHEOPHYTIN AA,B1Z9J0.71
BPHBACTERIOPHEOPHYTIN AH,L,M2GNU0.71
BPHBACTERIOPHEOPHYTIN AC1E6D0.71
BPHBACTERIOPHEOPHYTIN AL,M1MPS0.71
BPHBACTERIOPHEOPHYTIN AL,M,X2UXM0.71
BPHBACTERIOPHEOPHYTIN AH,L,M1RVJ0.71
BPHBACTERIOPHEOPHYTIN AH,L,M2UXL0.71
BPHBACTERIOPHEOPHYTIN AC,D,L,M,R,S1L9J0.71
BPHBACTERIOPHEOPHYTIN AL,M2JJ00.71
BPHBACTERIOPHEOPHYTIN AL,M1JH00.71
BPHBACTERIOPHEOPHYTIN AH,L,M2GMR0.71
BPHBACTERIOPHEOPHYTIN AH,L,M3DU20.71
BPHBACTERIOPHEOPHYTIN AL,M1PSS0.71
BPHBACTERIOPHEOPHYTIN AH,L,M2HG90.71
BPHBACTERIOPHEOPHYTIN AH,L,M2HIT0.71
BPHBACTERIOPHEOPHYTIN AH,L,M2JIY0.71
BPHBACTERIOPHEOPHYTIN AH,L,M2UWU0.71
BPHBACTERIOPHEOPHYTIN AL,M1JGZ0.71
BPHBACTERIOPHEOPHYTIN AH,L,M2J8C0.71
BPHBACTERIOPHEOPHYTIN AH,L,M,R,S,T1DV30.71
BPHBACTERIOPHEOPHYTIN AH,L,M3DSY0.71
BPHBACTERIOPHEOPHYTIN AH,L,M1F6N0.71
BPHBACTERIOPHEOPHYTIN AH,L,M1FNP0.71
BPHBACTERIOPHEOPHYTIN AH,L,M1K6L0.71
BPHBACTERIOPHEOPHYTIN AH,L,M2HHK0.71
BPHBACTERIOPHEOPHYTIN AL,M1JGW0.71
BPHBACTERIOPHEOPHYTIN AH,L,M2J8D0.71
BPHBACTERIOPHEOPHYTIN AL,M1YST0.71
BPHBACTERIOPHEOPHYTIN AH,L,M3DTR0.71
BPHBACTERIOPHEOPHYTIN AL,M1JGY0.71
BPHBACTERIOPHEOPHYTIN AH,L,M2HH10.71
C80(2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-
BENZYL-1H-INDOLE-3-CARBOXYLATE
C,O2V110.75
225FELODIPINEA2NNJ0.71
5DE1-(4-AMINOPHENYL)-3,5-DIMETHYL-
1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
A,B1Y2E0.71