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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02090645

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
BPBBACTERIOPHEOPHYTIN BC,H,L,M3PRC0.75
BPBBACTERIOPHEOPHYTIN BC,H,L,M6PRC0.75
BPBBACTERIOPHEOPHYTIN BH,L,M1RY50.75
BPBBACTERIOPHEOPHYTIN BH,L,M1RZH0.75
BPBBACTERIOPHEOPHYTIN BL,M,R,S1RZZ0.75
BPBBACTERIOPHEOPHYTIN BL,M,R,S1S000.75
BPBBACTERIOPHEOPHYTIN BC,H,L,M2JBL0.75
BPBBACTERIOPHEOPHYTIN BC,H,L,M1VRN0.75
BPBBACTERIOPHEOPHYTIN BC,H,L,M7PRC0.75
BPBBACTERIOPHEOPHYTIN BC,H,L,M2PRC0.75
BPBBACTERIOPHEOPHYTIN BH,L,M1UMX0.75
BPBBACTERIOPHEOPHYTIN BC,H,L,M1R2C0.75
BPBBACTERIOPHEOPHYTIN BC,H,L,M3D380.75
BPBBACTERIOPHEOPHYTIN BC,H,L,M2I5N0.75
BPBBACTERIOPHEOPHYTIN BC,H,L,M5PRC0.75
BPBBACTERIOPHEOPHYTIN BC,H,L,M1PRC0.75
BPBBACTERIOPHEOPHYTIN BH,L,M1RVJ0.75
BPBBACTERIOPHEOPHYTIN BC,H,L,M,U1DXR0.75
POO3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN-
3-YL)METHYL]AMINO}-2-OXOETHYL)-
2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID
A2BRL0.7
VX32,3-diphenyl-1H-indole-7-carboxylic acidA3BGZ0.73
OAI6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACIDA1C830.72
JTPN-[(13-CYCLOHEXYL-6,7-DIHYDROINDOLO[1,2-
D][1,4]BENZOXAZEPIN-10-YL)CARBONYL]-
2-METHYL-L-ALANINE
A,B2DXS0.7
225FELODIPINEA2NNJ0.73
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,B3G0F0.72
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
A3G0E0.72
882(3R,5R)-7-[5-(ANILINOCARBONYL)-
3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL-
1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID
A,C,D2Q1L0.76
882(3R,5R)-7-[5-(ANILINOCARBONYL)-
3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL-
1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID
A,C,D3CD70.76
C80(2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-
BENZYL-1H-INDOLE-3-CARBOXYLATE
C,O2V110.76
KAWN-{(5S)-4,4-dihydroxy-6-phenyl-
5-[(phenylcarbonyl)amino]hexanoyl}-
L-tryptophan
A3BKL0.71
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
BPHBACTERIOPHEOPHYTIN AH,L,M1RG50.75
BPHBACTERIOPHEOPHYTIN AH,L,M2UWT0.75
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
1PYH0.75
BPHBACTERIOPHEOPHYTIN AA,B,C1Z9K0.75
BPHBACTERIOPHEOPHYTIN AH,L,M2UXK0.75
BPHBACTERIOPHEOPHYTIN AH,L,M1RY50.75
BPHBACTERIOPHEOPHYTIN AH,L,M1RZH0.75
BPHBACTERIOPHEOPHYTIN AC,H,L,M1EYS0.75
BPHBACTERIOPHEOPHYTIN AH,L,M2UWS0.75
BPHBACTERIOPHEOPHYTIN AL,M4RCR0.75
BPHBACTERIOPHEOPHYTIN AH,L,M1K6N0.75
BPHBACTERIOPHEOPHYTIN AL,M1YF60.75
BPHBACTERIOPHEOPHYTIN AH,L,M2UX50.75
BPHBACTERIOPHEOPHYTIN AH,L,M3DTS0.75
BPHBACTERIOPHEOPHYTIN AC1E140.75
BPHBACTERIOPHEOPHYTIN AH,L,M3DTA0.75
BPHBACTERIOPHEOPHYTIN AL,M1PST0.75
BPHBACTERIOPHEOPHYTIN AL,M1KBY0.75
BPHBACTERIOPHEOPHYTIN AC,H,L,M1L9B0.75
BPHBACTERIOPHEOPHYTIN AL,M2RCR0.75
BPHBACTERIOPHEOPHYTIN AL,M1PCR0.75
BPHBACTERIOPHEOPHYTIN AL,M1M3X0.75
BPHBACTERIOPHEOPHYTIN AH,L,M2HJ60.75
BPHBACTERIOPHEOPHYTIN AH,L,M,R,S,T1DS80.75
BPHBACTERIOPHEOPHYTIN AH,L,M1FNQ0.75
BPHBACTERIOPHEOPHYTIN AH,L,M2UXJ0.75
BPHBACTERIOPHEOPHYTIN AL,M1QOV0.75
BPHBACTERIOPHEOPHYTIN AH,L,M3DU30.75
BPHBACTERIOPHEOPHYTIN AH,L,M2UX40.75
BPHBACTERIOPHEOPHYTIN AL,M,R,S1AIJ0.75
BPHBACTERIOPHEOPHYTIN AL,M,N,O1AIG0.75
BPHBACTERIOPHEOPHYTIN AH,L,M1RGN0.75
BPHBACTERIOPHEOPHYTIN AL,M1JGX0.75
BPHBACTERIOPHEOPHYTIN AH,L,M2UWV0.75
BPHBACTERIOPHEOPHYTIN AH,L,M1RQK0.75
BPHBACTERIOPHEOPHYTIN AH,L,M,R,S,T1DV60.75
BPHBACTERIOPHEOPHYTIN AH,L,M2UWW0.75
BPHBACTERIOPHEOPHYTIN AL,M,R,S1RZZ0.75
BPHBACTERIOPHEOPHYTIN AL,M,R,S1S000.75
BPHBACTERIOPHEOPHYTIN AH,L,M2HG30.75
BPHBACTERIOPHEOPHYTIN AH,L,M2UX30.75
BPHBACTERIOPHEOPHYTIN AL,M1OGV0.75
BPHBACTERIOPHEOPHYTIN AH,L,M3DUQ0.75
BPHBACTERIOPHEOPHYTIN AA,B1Z9J0.75
BPHBACTERIOPHEOPHYTIN AH,L,M2GNU0.75
BPHBACTERIOPHEOPHYTIN AC1E6D0.75
BPHBACTERIOPHEOPHYTIN AL,M1MPS0.75
BPHBACTERIOPHEOPHYTIN AL,M,X2UXM0.75
BPHBACTERIOPHEOPHYTIN AH,L,M1RVJ0.75
BPHBACTERIOPHEOPHYTIN AH,L,M2UXL0.75
BPHBACTERIOPHEOPHYTIN AC,D,L,M,R,S1L9J0.75
BPHBACTERIOPHEOPHYTIN AL,M2JJ00.75
BPHBACTERIOPHEOPHYTIN AL,M1JH00.75
BPHBACTERIOPHEOPHYTIN AH,L,M2GMR0.75
BPHBACTERIOPHEOPHYTIN AH,L,M3DU20.75
BPHBACTERIOPHEOPHYTIN AL,M1PSS0.75
BPHBACTERIOPHEOPHYTIN AH,L,M2HG90.75
BPHBACTERIOPHEOPHYTIN AH,L,M2HIT0.75
BPHBACTERIOPHEOPHYTIN AH,L,M2JIY0.75
BPHBACTERIOPHEOPHYTIN AH,L,M2UWU0.75
BPHBACTERIOPHEOPHYTIN AL,M1JGZ0.75
BPHBACTERIOPHEOPHYTIN AH,L,M2J8C0.75
BPHBACTERIOPHEOPHYTIN AH,L,M,R,S,T1DV30.75
BPHBACTERIOPHEOPHYTIN AH,L,M3DSY0.75
BPHBACTERIOPHEOPHYTIN AH,L,M1F6N0.75
BPHBACTERIOPHEOPHYTIN AH,L,M1FNP0.75
BPHBACTERIOPHEOPHYTIN AH,L,M1K6L0.75
BPHBACTERIOPHEOPHYTIN AH,L,M2HHK0.75
BPHBACTERIOPHEOPHYTIN AL,M1JGW0.75
BPHBACTERIOPHEOPHYTIN AH,L,M2J8D0.75
BPHBACTERIOPHEOPHYTIN AL,M1YST0.75
BPHBACTERIOPHEOPHYTIN AH,L,M3DTR0.75
BPHBACTERIOPHEOPHYTIN AL,M1JGY0.75
BPHBACTERIOPHEOPHYTIN AH,L,M2HH10.75
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,D3CD50.75
TTR9-ACETYL-2,3,4,9-TETRAHYDRO-1H-
CARBAZOL-1-ONE
A2D820.71
PQQPYRROLOQUINOLINE QUINONEA,B1CQ10.77
PQQPYRROLOQUINOLINE QUINONEA,B1OTW0.77
PQQPYRROLOQUINOLINE QUINONEA,B1C9U0.77
PQQPYRROLOQUINOLINE QUINONEA,C1W6S0.77
PQQPYRROLOQUINOLINE QUINONEA,B1FLG0.77
PQQPYRROLOQUINOLINE QUINONEA1KV90.77
PQQPYRROLOQUINOLINE QUINONEA,C2AD60.77
PQQPYRROLOQUINOLINE QUINONEA,B1CRU0.77
PQQPYRROLOQUINOLINE QUINONEA,C1H4I0.77
PQQPYRROLOQUINOLINE QUINONEA,C2AD70.77
PQQPYRROLOQUINOLINE QUINONEA,C2AD80.77
PQQPYRROLOQUINOLINE QUINONEA,D,I2D0V0.77
PQQPYRROLOQUINOLINE QUINONEA,C4AAH0.77
PQQPYRROLOQUINOLINE QUINONEA,C,E,G1H4J0.77
PQQPYRROLOQUINOLINE QUINONEA1KB00.77
PQQPYRROLOQUINOLINE QUINONEA1YIQ0.77
PQQPYRROLOQUINOLINE QUINONEA,C1LRW0.77
PQQPYRROLOQUINOLINE QUINONEA,C1G720.77
BRE2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-
QUINOLINE-4-CARBOXYLIC ACID
A1D3G0.71
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.72
CMF3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-
2-OXOETHYL)-2-PHENYL-1H-INDOLE-
6-CARBOXYLIC ACID
A2BRK0.71
T19PHENYLMETHYLENECARBOXY-(METHYLENEAMINO-
FORMYL-DIPHENYLMETHYL)METHY-PRO-
BOROVAL
H,I1AIX0.76
BH1BACTERIOPHEOPHYTINH,L,M2BOZ0.73
BH1BACTERIOPHEOPHYTINA,B2BNS0.73
BH1BACTERIOPHEOPHYTINA,B2BNP0.73
3DE3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLE-
4-CARBOXYLIC ACID ETHYL ESTER
A,B1Y2C0.71
FIC5-fluoroindole-2-carboxylic acidA,B3DWS0.74
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
5DE1-(4-AMINOPHENYL)-3,5-DIMETHYL-
1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
A,B1Y2E0.7
A465-chloro-N-{4-[(1R)-1,2-dihydroxyethyl]phenyl}-
1H-indole-2-carboxamide
A,B2ZB20.71
GW4N-[(2S)-2-[(2-BENZOYLPHENYL)AMINO]-
3-{4-[2-(5-METHYL-2-PHENYL-1,3-
OXAZOL-4-YL)ETHOXY]PHENYL}PROPYL]ACETAMIDE
A,B2POB0.71
ARH3-(HYDROXYMETHYL)-1-METHYL-5-(2-
METHYLAZIRIDIN-1-YL)-2-PHENYL-1H-
INDOLE-4,7-DIONE
A,B,C,D1H690.73
6IN4-(1-BENZYL-3-CARBAMOYLMETHYL-2-
METHYL-1H-INDOL-5-YLOXY)-BUTYRIC ACID
A1DB50.71
5442-(1-METHYL-3-OXO-3-PHENYL-PROPYLAMINO)-
3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL-
4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID
A,D1K740.71
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,G1K7L0.71
8HI(3R,5R)-7-{3-(4-fluorophenyl)-1-
(1-methylethyl)-4-phenyl-5-[(4-
sulfamoylphenyl)carbamoyl]-1H-pyrrol-
2-yl}-3,5-dihydroxyheptanoic acid
A,B,C,D3CDA0.71
2S8(2S)-8-[(tert-butoxycarbonyl)amino]-
2-(1H-indol-3-yl)octanoic acid
B3C6N0.7
ONO2-[2-({[4-(DIAMINOMETHYL)PHENYL]AMINO}CARBONYL)-
6-METHOXYPYRIDIN-3-YL]-5-{[(1-FORMYL-
2,2-DIMETHYLPROPYL)AMINO]CARBONYL}BENZOIC ACID
A2AYW0.71
3405-METHOXY-1,2-DIMETHYL-3-(PHENOXYMETHYL)INDOLE-
4,7-DIONE
A,B,C,D1KBO0.71
HR1(3R,5R)-7-[1-(4-FLUOROPHENYL)-3-
ISOPROPYL-4-OXO-5-PHENYL-4,5-DIHYDRO-
3H-PYRROLO[2,3-C]QUINOLIN-2-YL]-
3,5-DIHYDROXYHEPTANOIC ACID
A,B,C,D2Q6C0.71
5702-(2-BENZOYL-PHENYLAMINO)-3-{4-
[2-(5-METHYL-2-PHENYL-OXAZOL-4-
YL)-ETHOXY]-PHENYL}-PROPIONIC ACID
A,D1RDT0.72
5702-(2-BENZOYL-PHENYLAMINO)-3-{4-
[2-(5-METHYL-2-PHENYL-OXAZOL-4-
YL)-ETHOXY]-PHENYL}-PROPIONIC ACID
A,D1FM90.72
IIDN-(1-ISOPROPYLPIPERIDIN-4-YL)-1-
(3-METHOXYBENZYL)-1H-INDOLE-2-CARBOXAMIDE
A,B2BQ70.72
HR2(3R,5R)-7-[3-(4-FLUOROPHENYL)-1-
ISOPROPYL-8-OXO-7-PHENYL-1,4,5,6,7,8-
HEXAHYDROPYRROLO[2,3-C]AZEPIN-2-
YL]-3,5-DIHYDROXYHEPTANOIC ACID
A,B,C,D2Q6B0.73
471N-((2S)-2-({(1Z)-1-METHYL-3-OXO-
3-[4-(TRIFLUOROMETHYL) PHENYL]PROP-
1-ENYL}AMINO)-3-{4-[2-(5-METHYL-
2-PHENYL-1,3-OXAZOL-4-YL)ETHOXY]PHENYL}PROPYL)PROPANAMIDE
A,B,C,D1KKQ0.7
MOCCARBAMIC ACID 2,6-DIAMINO-5-METHYL-
4,7-DIOXO-2,3,4,7-TETRAHYDRO-1H-
3A-AZA-CYCLOPENTA[A]INDEN-8-YLMETHYL ESTER
A199D0.73
BRFA1UUO0.71
1IQ2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5-
DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE-
3-CARBOXYLIC ACID
A1Z8N0.72
SNX2-[(2-methoxyethyl)amino]-4-(4-
oxo-1,2,3,4-tetrahydro-9H-carbazol-
9-yl)benzamide
A3D0B0.72
I4A5-(3-carbamoylbenzyl)-5,6,7,8,9,10-
hexahydrocyclohepta[b]indole-4-
carboxylic acid
A3FR50.71
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
1177-[2-(4-FLUORO-PHENYL)-5-ISOPROPYL-
3-PHENYL-4-PHENYLCARBAMOYL-PYRROL-
1-YL]- 3,5-DIHYDROXY-HEPTANOIC ACID
A,B,C,D1HWK0.76
AG74-{2-(4-FLUORO-BENZYL)-6-METHYL-
5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-
AMINO]-4-OXO-HEPTANOYLAMINO}-5-
(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER
A1CQQ0.72
RXB(1S)-2-oxo-1-phenyl-2-[(1,3,4-trioxo-
1,2,3,4-tetrahydroisoquinolin-5-
yl)amino]ethyl acetate
A,B,C,D3DEI0.71
IOKN-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-
2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE
A,B2IOK0.71
IDA(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO-
INDOL-7-YL)ACETIC ACID
A,B1OXL0.73
CBB1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-
2-CARBOXYLIC ACID 3-CARBAMIMIDOYL-
BENZYLESTER
B1LPK0.74