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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00098925

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1722-AMINO-5-HYDROXY-BENZIMIDAZOLEA1FV90.72
N414-(6-CYCLOHEXYLMETHOXY-9H-PURIN-
2-YLAMINO)--BENZAMIDE
A,B,C,D1OIY0.71
MBC2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}-
2-FURYL)-1H-BENZIMIDAZOLE-5-CARBOXIMIDAMIDE
A2I2I0.76
HAN2-AMINO-5,6-DIMETHYL-BENZIMIDAZOLE-
1-PENTANOIC ACID
B,D,E,H1Y180.76
HAN2-AMINO-5,6-DIMETHYL-BENZIMIDAZOLE-
1-PENTANOIC ACID
A,D,E,F,H1Y0L0.76
CLI3-(2-CARBOXY-ETHYL)-4,6-DICHLORO-
1H-INDOLE-2-CARBOXYLIC ACID
A,F1LEV0.7
7CK7-carboxy-5-hydroxy-12,13-dihydro-
6H-indolo[2,3-a]pyrrolo[3,4-c]carbazole
A,B2R0G0.72
1212-(3-HYDROXY-PYRIDIN-2-YL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
H,I,L1GHY0.73
COPN-(4-CARBOXY-4-{4-[(2,4-DIAMINO-
PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-
BUTYL)-PHTHALAMIC ACID
A1OHJ0.71
COPN-(4-CARBOXY-4-{4-[(2,4-DIAMINO-
PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-
BUTYL)-PHTHALAMIC ACID
A1OHK0.71
AAItrans-4-(7-carbamoyl-1H-benzimidazol-
2-yl)-1-propylpiperidinium
A2RCW0.75
PT1PTEROIC ACIDA,B1TX00.74
PT1PTEROIC ACIDA1BR60.74
PT1PTEROIC ACIDA,B1HWP0.74
C243-({2-[(4-CARBAMIMIDOYL-PHENYLAMINO)-
METHYL]-3-METHYL-3H-BENZOIMIDAZOLE-
5-CARBONYL}-PYRIDIN-2-YL-AMINO)-
PROPIONIC ACID ETHYL ESTER
B,C1KTS0.73
L344-(7-AMINO-9-HYDROXY-1-OXO-3,3A,4,5-
TETRAHYDRO-2,5,6,8,9B-PENTAAZA-
CYCLOPENTA[A]NAPHTHALEN-2-YL)-PHENYLCARBONYL-
GLUTAMIC ACID
A,B1DIB0.7
MMG4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-
3-yl)benzoic acid
A3HDM0.72
BGU2,6-diamino-1,7-dihydro-8H-imidazo[4,5-
g]quinazolin-8-one
A2Z7K0.74
RO23-[5-[5-(4-METHYL-PIPERAZIN-1-YL)-
1H-IMIDAZO[4,5-B]PYRIDIN-2-YL]-
BENZIMIDAZOL-2-YL]-PHENOL
A303D0.71
RO23-[5-[5-(4-METHYL-PIPERAZIN-1-YL)-
1H-IMIDAZO[4,5-B]PYRIDIN-2-YL]-
BENZIMIDAZOL-2-YL]-PHENOL
A302D0.71
8012-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}PYRIDIN-3-OLATE
A1O340.72
8012-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}PYRIDIN-3-OLATE
A1O310.72
8012-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}PYRIDIN-3-OLATE
A1O330.72
8012-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}PYRIDIN-3-OLATE
A1O320.72
S606-amino-2-methyl-1,7-dihydro-8H-
imidazo[4,5-g]quinazolin-8-one
A3C2Y0.75
BAHBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE HYDRATEA1C2G0.75
BAHBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE HYDRATEA1C2F0.75
BAHBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE HYDRATEH,I,L1C1W0.75
DOT3'ANTHRANILOYL-2'-DEOXY-ADENOSINE-
5'-TRIPHOSPHATE
A,B,C,D,E,F1LVC0.7
BAKBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONEA1C2I0.7
BAKBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONEA1C2J0.7
BAKBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONEA1C2H0.7
BAKBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONEA1C2D0.7
BAKBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONEA1C2E0.7
BAOBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANONEA1XUH0.71
BAOBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANONEA1XUI0.71
ONAA,C2GVZ0.71
IBB5-(2-IMIDAZOLINYL)-2-[2-(4-HYDROXYPHENYL)-
5-BENZIMIDAZOLYL]BENZIMIDAZOLE
A109D0.73
ST44-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACIDA1INF0.7
6932-(5-{5-[AMINO(IMINIO)METHYL]-1H-
BENZIMIDAZOL-2-YL}-2'-FLUORO-6-
OXIDO-1,1'-BIPHENYL-3-YL)SUCCINATE
A1O300.75
8022-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-4-FLUOROBENZENOLATE
A1O350.75
SU9(3Z)-3-(1H-IMIDAZOL-5-YLMETHYLENE)-
5-METHOXY-1H-INDOL-2(3H)-ONE
A1PF80.71
3446-AMINO-3,7-DIHYDRO-IMIDAZO[4,5-
G]QUINAZOLIN-8-ONE
A2BBF0.71
N1HH2F9B0.71
3342-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-6-BROMO-4-METHYLBENZENOLATE
A1O3K0.71
3342-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-6-BROMO-4-METHYLBENZENOLATE
A1O3J0.71
T121-(3-HYDROXYPROPYL)-2-[(3-NITROBENZOYL)AMINO]-
1H-BENZIMIDAZOL-5-YL PIVALATE
A,B,C,D2NRU0.72
3122-(5-{5-[AMINO(IMINIO)METHYL]-1H-
BENZIMIDAZOL-2-YL}-2'-METHOXY-6-
OXIDO-1,1'-BIPHENYL-3-YL)SUCCINATE
A1O2Z0.73
HXL2-(4-(4-CARBAMIMIDOYLPHENOXY)PHENYL)-
1H-BENZO[D]IMIDAZOLE-6-CARBOXIMIDAMIDE
G2FJV0.71
HXL2-(4-(4-CARBAMIMIDOYLPHENOXY)PHENYL)-
1H-BENZO[D]IMIDAZOLE-6-CARBOXIMIDAMIDE
B2FJX0.71
TRNNZ2-TRYPTOPHANA,B,C1AM70.71
78P(2R)-2-(7-carbamoyl-1H-benzimidazol-
2-yl)-2-methylpyrrolidinium
A2RD60.75
BAI(5-AMIDINO-2-BENZIMIDAZOLYL)(2-
BENZIMIDAZOLYL)METHANE
H,I1C1U0.71
BAI(5-AMIDINO-2-BENZIMIDAZOLYL)(2-
BENZIMIDAZOLYL)METHANE
A1C1R0.71
BAI(5-AMIDINO-2-BENZIMIDAZOLYL)(2-
BENZIMIDAZOLYL)METHANE
A1C1P0.71
BAI(5-AMIDINO-2-BENZIMIDAZOLYL)(2-
BENZIMIDAZOLYL)METHANE
A1C1Q0.71
FXGN-butyl-3-{[6-(9H-purin-6-ylamino)hexanoyl]amino}benzamideA3DAJ0.72
A465-chloro-N-{4-[(1R)-1,2-dihydroxyethyl]phenyl}-
1H-indole-2-carboxamide
A,B2ZB20.71
FIC5-fluoroindole-2-carboxylic acidA,B3DWS0.76
1202-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-
YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE
B1GI70.73
1202-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-
YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE
H,I1GHV0.73
1202-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-
YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE
A1GHZ0.73
CBB1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-
2-CARBOXYLIC ACID 3-CARBAMIMIDOYL-
BENZYLESTER
B1LPK0.7
4RB4-(6-{[(1R)-1-(hydroxymethyl)propyl]amino}imidazo[1,2-
b]pyridazin-3-yl)benzoic acid
A3BQR0.77
TRM1H-BENOXIMIDAZOLE-2-CARBOXYLIC ACIDA1FQ40.75
C1BH2B7D0.76
6535-(2-AMINOETHYL)-3-{5-[AMINO(IMINIO)METHYL]-
1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-
2-OLATE
A1O380.71
6535-(2-AMINOETHYL)-3-{5-[AMINO(IMINIO)METHYL]-
1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-
2-OLATE
A1O370.71
IQA(5-OXO-5,6-DIHYDRO-INDOLO[1,2-A]QUINAZOLIN-
7-YL)-ACETIC ACID
A1OM10.72
146[4R-(4ALPHA,5ALPHA,6ALPHA,7ALPHA)]-
3,3'-{{TETRAHYDRO-5,6-DIHYDROXY-
2-OXO-4,7-BIS(PHENYLMETHYL)-1H-
1,3-DIAZEPINE-1,3(2H)-DIYL]BIS(METHYLENE)]BIS[N-
1H-BENZIMIDAZOL-2-YLBENZAMIDE]
B1QBT0.72
146[4R-(4ALPHA,5ALPHA,6ALPHA,7ALPHA)]-
3,3'-{{TETRAHYDRO-5,6-DIHYDROXY-
2-OXO-4,7-BIS(PHENYLMETHYL)-1H-
1,3-DIAZEPINE-1,3(2H)-DIYL]BIS(METHYLENE)]BIS[N-
1H-BENZIMIDAZOL-2-YLBENZAMIDE]
B1BWB0.72
GBS4-GUANIDINOBENZOIC ACIDX2AH40.72
GBS4-GUANIDINOBENZOIC ACIDA1GBT0.72
GBS4-GUANIDINOBENZOIC ACIDA1RTK0.72
GBS4-GUANIDINOBENZOIC ACIDA3DFL0.72
IMK2-(BETA-D-GLUCOPYRANOSYL)-5-METHYL-
1-BENZIMIDAZOLE
A1XKX0.78
1232-(2-HYDROXY-5-METHOXY-PHENYL)-
1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE
B1GI90.74
1232-(2-HYDROXY-5-METHOXY-PHENYL)-
1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE
A1GI50.74
6072-(2'-AMINO-5-{5-[AMINO(IMINIO)METHYL]-
1H-BENZIMIDAZOL-2-YL}-6-OXIDO-1,1'-
BIPHENYL-3-YL)SUCCINATE
A1O360.76
E964-{[4-HYDROXY-PHENYL]-1H-BENZIMIDAZOLE-
5-YL}-BENZIMIDAZOLE-2-YL-[4-HYDROXY-
BENZENE]
A453D0.73
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1G9B0.7
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1G9C0.7
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1XUG0.7
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1G9A0.7
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1C1T0.7
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1G9D0.7
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEH,I1C1V0.7
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1C1S0.7
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1XUK0.7
7852-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-4-(TRIFLUOROMETHOXY)BENZENOLATE
A1O3M0.71
7852-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-4-(TRIFLUOROMETHOXY)BENZENOLATE
A1O3O0.71
7852-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-4-(TRIFLUOROMETHOXY)BENZENOLATE
A1O3N0.71
BZCA1EFY0.77
RAI1-(4-CARBOXY-2-GUANIDINOPENTYL)-
5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-
2-ONE
A1B9T0.76
CR42-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}BENZENOLATE
A1O2S0.76
CR42-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}BENZENOLATE
B1P570.76
CKR6-amino-2-[(2-morpholin-4-ylethyl)amino]-
3,7-dihydro-8H-imidazo[4,5-g]quinazolin-
8-one
A3C2N0.73
1222-(2-HYDROXY-PHENYL)-3H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
A1GI40.77
1222-(2-HYDROXY-PHENYL)-3H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
A1GI20.77
1IQ2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5-
DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE-
3-CARBOXYLIC ACID
A1Z8N0.72
APT2-AMINO-6-[(4-CARBOXY-PHENYLAMINO)-
METHYL]-4-HYDROXY-PTERIDIN-1-IUM
A,B1QCJ0.76
PVBPURVALANOLA1CKP0.78
PVBPURVALANOLA,B1V0P0.78
NFL2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACIDA1TD70.7
ST54-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACIDA,B1ING0.71
1302-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
B1GJB0.74
1302-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
H,I1GJ50.74
1302-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
B1GJC0.74
G142-phenyl-1H-imidazole-4-carboxylic acidA,B3GRJ0.73
7803-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-1,1'-BIPHENYL-2-OLATE
A1O390.73
7803-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-1,1'-BIPHENYL-2-OLATE
A1O3D0.73
7803-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-1,1'-BIPHENYL-2-OLATE
A1O3C0.73
7803-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-1,1'-BIPHENYL-2-OLATE
A1O3A0.73
7803-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-1,1'-BIPHENYL-2-OLATE
A1O3B0.73
8472-(3-{5-[AMINO(IMINIO)METHYL]-1H-
BENZIMIDAZOL-2-YL}-5-BROMO-4-OXIDOPHENYL)SUCCINATE
A1O2V0.74
8472-(3-{5-[AMINO(IMINIO)METHYL]-1H-
BENZIMIDAZOL-2-YL}-5-BROMO-4-OXIDOPHENYL)SUCCINATE
A1O2Y0.74
8472-(3-{5-[AMINO(IMINIO)METHYL]-1H-
BENZIMIDAZOL-2-YL}-5-BROMO-4-OXIDOPHENYL)SUCCINATE
A1O2U0.74
8472-(3-{5-[AMINO(IMINIO)METHYL]-1H-
BENZIMIDAZOL-2-YL}-5-BROMO-4-OXIDOPHENYL)SUCCINATE
A1O2X0.74
8472-(3-{5-[AMINO(IMINIO)METHYL]-1H-
BENZIMIDAZOL-2-YL}-5-BROMO-4-OXIDOPHENYL)SUCCINATE
A1O2W0.74
ABI5-AMIDINO-BENZIMIDAZOLEA1C2K0.7
AR2ARGINYL-BENZOTHIAZOLE-6-CARBOXYLIC ACIDA,B,I1DOJ0.71
NZOnocodazoleA,B3EE20.73
PQQPYRROLOQUINOLINE QUINONEA,B1CQ10.71
PQQPYRROLOQUINOLINE QUINONEA,B1OTW0.71
PQQPYRROLOQUINOLINE QUINONEA,B1C9U0.71
PQQPYRROLOQUINOLINE QUINONEA,C1W6S0.71
PQQPYRROLOQUINOLINE QUINONEA,B1FLG0.71
PQQPYRROLOQUINOLINE QUINONEA1KV90.71
PQQPYRROLOQUINOLINE QUINONEA,C2AD60.71
PQQPYRROLOQUINOLINE QUINONEA,B1CRU0.71
PQQPYRROLOQUINOLINE QUINONEA,C1H4I0.71
PQQPYRROLOQUINOLINE QUINONEA,C2AD70.71
PQQPYRROLOQUINOLINE QUINONEA,C2AD80.71
PQQPYRROLOQUINOLINE QUINONEA,D,I2D0V0.71
PQQPYRROLOQUINOLINE QUINONEA,C4AAH0.71
PQQPYRROLOQUINOLINE QUINONEA,C,E,G1H4J0.71
PQQPYRROLOQUINOLINE QUINONEA1KB00.71
PQQPYRROLOQUINOLINE QUINONEA1YIQ0.71
PQQPYRROLOQUINOLINE QUINONEA,C1LRW0.71
PQQPYRROLOQUINOLINE QUINONEA,C1G720.71
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
A1GI00.77
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
B1GI80.77
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
H,I1GHW0.77
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
A1GI10.77
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
A1GI30.77
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
H,I,L1GHX0.77
A453-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5-
D]PYRIMIDIN-2-YL)-BENZOIC ACID
A1RRI0.77