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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02090644

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.73
REW(2S,3S)-1-(4-METHOXYPHENYL)-3-(3-
(2-(5-METHYL-2-PHENYLOXAZOL-4-YL)ETHOXY)BENZYL)-
4-OXOAZETIDINE-2-CARBOXYLIC ACID
A2REW0.71
VX32,3-diphenyl-1H-indole-7-carboxylic acidA3BGZ0.74
1177-[2-(4-FLUORO-PHENYL)-5-ISOPROPYL-
3-PHENYL-4-PHENYLCARBAMOYL-PYRROL-
1-YL]- 3,5-DIHYDROXY-HEPTANOIC ACID
A,B,C,D1HWK0.75
JTPN-[(13-CYCLOHEXYL-6,7-DIHYDROINDOLO[1,2-
D][1,4]BENZOXAZEPIN-10-YL)CARBONYL]-
2-METHYL-L-ALANINE
A,B2DXS0.72
2S8(2S)-8-[(tert-butoxycarbonyl)amino]-
2-(1H-indol-3-yl)octanoic acid
B3C6N0.71
ONO2-[2-({[4-(DIAMINOMETHYL)PHENYL]AMINO}CARBONYL)-
6-METHOXYPYRIDIN-3-YL]-5-{[(1-FORMYL-
2,2-DIMETHYLPROPYL)AMINO]CARBONYL}BENZOIC ACID
A2AYW0.72
225FELODIPINEA2NNJ0.73
FIC5-fluoroindole-2-carboxylic acidA,B3DWS0.72
KAWN-{(5S)-4,4-dihydroxy-6-phenyl-
5-[(phenylcarbonyl)amino]hexanoyl}-
L-tryptophan
A3BKL0.71
550methyl (1R,2S)-2-(hydroxycarbamoyl)-
1-{4-[(2-methylquinolin-4-yl)methoxy]benzyl}cyclopropanecarboxylate
A,B3EDZ0.71
A465-chloro-N-{4-[(1R)-1,2-dihydroxyethyl]phenyl}-
1H-indole-2-carboxamide
A,B2ZB20.72
GW4N-[(2S)-2-[(2-BENZOYLPHENYL)AMINO]-
3-{4-[2-(5-METHYL-2-PHENYL-1,3-
OXAZOL-4-YL)ETHOXY]PHENYL}PROPYL]ACETAMIDE
A,B2POB0.72
OAI6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACIDA1C830.73
BH1BACTERIOPHEOPHYTINH,L,M2BOZ0.74
BH1BACTERIOPHEOPHYTINA,B2BNS0.74
BH1BACTERIOPHEOPHYTINA,B2BNP0.74
TTR9-ACETYL-2,3,4,9-TETRAHYDRO-1H-
CARBAZOL-1-ONE
A2D820.71
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
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
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
A1CQQ0.71
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,D2Q6B0.71
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
I4A5-(3-carbamoylbenzyl)-5,6,7,8,9,10-
hexahydrocyclohepta[b]indole-4-
carboxylic acid
A3FR50.72
3DE3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLE-
4-CARBOXYLIC ACID ETHYL ESTER
A,B1Y2C0.71
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
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
RXP1-BENZYLOXYCARBONYLAMINO-2-PHENYL-
ETHYL)-{2-[1-CARBAMOYL-2-(1H-INDOL-
3-YL)-ETHYLCARBAMOYL]-5-PHENYL-
PENTYL}-PHOSPHINIC ACID
A,B,C,D,E,F1HV50.7
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
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
C80(2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-
BENZYL-1H-INDOLE-3-CARBOXYLATE
C,O2V110.77
DSI4-HYDROXY-6-(1H-INDOLE-2-CARBONYL)-
8-METHYL-3,6,7,8-TETRAHYDRO-3,6-
DIAZA-AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTER
B1DSI0.7
3405-METHOXY-1,2-DIMETHYL-3-(PHENOXYMETHYL)INDOLE-
4,7-DIONE
A,B,C,D1KBO0.71
SNX2-[(2-methoxyethyl)amino]-4-(4-
oxo-1,2,3,4-tetrahydro-9H-carbazol-
9-yl)benzamide
A3D0B0.73
1IQ2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5-
DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE-
3-CARBOXYLIC ACID
A1Z8N0.73
TBV3-[2-[[3-(2-CARBOXYETHYL)-5-[[3-
ETHENYL-4-METHYL-5-[(2-METHYLPROPAN-
2-YL)OXY]-1H-PYRROL-2-YL]METHYL]-
4-METHYL-1H-PYRROL-2-YL]METHYL]-
5-[(Z)-(4-ETHENYL-3-METHYL-5-OXO-
PYRROL-2-YLIDENE)METHYL]-4-METHYL-
1H-PYRROL-3-YL]PROPANOIC ACID
A2WD40.7
POO3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN-
3-YL)METHYL]AMINO}-2-OXOETHYL)-
2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID
A2BRL0.71
IIDN-(1-ISOPROPYLPIPERIDIN-4-YL)-1-
(3-METHOXYBENZYL)-1H-INDOLE-2-CARBOXAMIDE
A,B2BQ70.72
3IHN-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-
L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-
4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-
3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
A2HOB0.7
3IHN-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-
L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-
4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-
3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
A,B2AMQ0.7
3IHN-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-
L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-
4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-
3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
A,B,C,D3D230.7
3IHN-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-
L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-
4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-
3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
A,B2Q6F0.7
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
INP4-[[N-[(PHENYLMETHOXY)CARBONYL]-
/NL/N-LEUCYL]AMINO]-1[(2S)-2-[[[4-
(PYRIDINYLMETHOXY)CARBONYL]AMINO]-
4-METHYLPENT/NYL]-3-PYRROLIDINONE/N
A1AU40.72
CBB1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-
2-CARBOXYLIC ACID 3-CARBAMIMIDOYL-
BENZYLESTER
B1LPK0.75
IDA(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO-
INDOL-7-YL)ACETIC ACID
A,B1OXL0.74
5702-(2-BENZOYL-PHENYLAMINO)-3-{4-
[2-(5-METHYL-2-PHENYL-OXAZOL-4-
YL)-ETHOXY]-PHENYL}-PROPIONIC ACID
A,D1RDT0.73
5702-(2-BENZOYL-PHENYLAMINO)-3-{4-
[2-(5-METHYL-2-PHENYL-OXAZOL-4-
YL)-ETHOXY]-PHENYL}-PROPIONIC ACID
A,D1FM90.73
E093-HYDROXYMETHYL-5-AZIRIDINYL-1METHYL-
2-[1H-INDOLE-4,7-DIONE]-PROPANOL
A,B,C,D1GG50.7
T19PHENYLMETHYLENECARBOXY-(METHYLENEAMINO-
FORMYL-DIPHENYLMETHYL)METHY-PRO-
BOROVAL
H,I1AIX0.77
CMF3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-
2-OXOETHYL)-2-PHENYL-1H-INDOLE-
6-CARBOXYLIC ACID
A2BRK0.72
882(3R,5R)-7-[5-(ANILINOCARBONYL)-
3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL-
1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID
A,C,D2Q1L0.73
882(3R,5R)-7-[5-(ANILINOCARBONYL)-
3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL-
1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID
A,C,D3CD70.73
RXB(1S)-2-oxo-1-phenyl-2-[(1,3,4-trioxo-
1,2,3,4-tetrahydroisoquinolin-5-
yl)amino]ethyl acetate
A,B,C,D3DEI0.71
IOKN-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-
2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE
A,B2IOK0.71
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
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,D3CCT0.73
5DE1-(4-AMINOPHENYL)-3,5-DIMETHYL-
1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
A,B1Y2E0.71
642(1S,3R,6S)-4-oxo-6-{4-[(2-phenylquinolin-
4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane-
1-carboxylic acid
A,B3EWJ0.7