MMsINC Database Search
logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01258500

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BAHBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE HYDRATEA1C2G0.74
BAHBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE HYDRATEA1C2F0.74
BAHBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE HYDRATEH,I,L1C1W0.74
C243-({2-[(4-CARBAMIMIDOYL-PHENYLAMINO)-
METHYL]-3-METHYL-3H-BENZOIMIDAZOLE-
5-CARBONYL}-PYRIDIN-2-YL-AMINO)-
PROPIONIC ACID ETHYL ESTER		B,C1KTS0.74
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]		B1QBT0.71
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]		B1BWB0.71
HT25-AMIDINO-2-[2-(4-AMIDINOPHENYL)-
5-BENZIMIDAZOLYL]BENZIMIDAZOLE		B311D0.73
C60[[[3-(2-METHYL-PROPANE-2-SULFONYL)-
1-BENZENYL]-2-PROPYL]-CARBONYL-
HISTIDYL]-AMINO-[CYCLOHEXYLMETHYL]-
[2-HYDROXY-4-ISOPROPYL]-PENTAN-
5-OIC ACID BUTYLAMIDE		A1RNE0.72
BBZ2'-(4-DIMETHYLAMINOPHENYL)-5-(4-
METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE		B447D0.7
BBZ2'-(4-DIMETHYLAMINOPHENYL)-5-(4-
METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE		B1QV80.7
78P(2R)-2-(7-carbamoyl-1H-benzimidazol-
2-yl)-2-methylpyrrolidinium		A2RD60.78
S796-amino-2-[(1-naphthylmethyl)amino]-
3,7-dihydro-8H-imidazo[4,5-g]quinazolin-
8-one		A2QZR0.75
G95N-[(1S)-2-amino-1-phenylethyl]-
5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-
2-carboxamide		A,B3E870.71
HA3N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2-
a]pyrazin-7(8H)-yl)carbonyl]thiophene-
2-carboxamide		A,B2VQV0.72
HA3N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2-
a]pyrazin-7(8H)-yl)carbonyl]thiophene-
2-carboxamide		A2VQM0.72
199N-{5-[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]-
1H-PYRROLO[2,3-B]PYRIDIN-3-YL}NICOTINAMIDE		A1ZYS0.71
CR42-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}BENZENOLATE		A1O2S0.7
CR42-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}BENZENOLATE		B1P570.7
BAI(5-AMIDINO-2-BENZIMIDAZOLYL)(2-
BENZIMIDAZOLYL)METHANE		H,I1C1U0.75
BAI(5-AMIDINO-2-BENZIMIDAZOLYL)(2-
BENZIMIDAZOLYL)METHANE		A1C1R0.75
BAI(5-AMIDINO-2-BENZIMIDAZOLYL)(2-
BENZIMIDAZOLYL)METHANE		A1C1P0.75
BAI(5-AMIDINO-2-BENZIMIDAZOLYL)(2-
BENZIMIDAZOLYL)METHANE		A1C1Q0.75
ZAM3-[(ACETYL-METHYL-AMINO)-METHYL]-
4-AMINO-N-METHYL-N-(1-METHYL-1H-
INDOL-2-YLMETHYL)-BENZAMIDE		A,B1LX60.71
BGU2,6-diamino-1,7-dihydro-8H-imidazo[4,5-
g]quinazolin-8-one		A2Z7K0.78
FTBN-{4-[1-(2-FLUOROBENZYL)-3-BUTYL-
2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-
PURIN-8-YLMETHYL]-PHENYL}-ACETAMIDE		A1NHX0.73
I19N-(4-{[(3S)-3-(dimethylamino)pyrrolidin-
1-yl]carbonyl}phenyl)-5-fluoro-
4-[2-methyl-1-(1-methylethyl)-1H-
imidazol-5-yl]pyrimidin-2-amine		A2W170.72
S986-amino-2-[(thiophen-2-ylmethyl)amino]-
1,7-dihydro-8H-imidazo[4,5-g]quinazolin-
8-one		A3C2Z0.77
325N-{2,4-difluoro-3-[(5-pyridin-3-
yl-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]phenyl}ethanesulfonamide		A3C4D0.7
HBNN-(2-NAPHTHYL)HISTIDINAMIDEB1VEA0.71
L0HN-[3-(1H-BENZIMIDAZOL-2-YL)-1H-
PYRAZOL-4-YL]BENZAMIDE		A2W1H0.76
FXN5-FLUORO-1H-INDOLE-2-CARBOXYLIC ACID-
(2-MERCAPTO-ETHYL)-AMIDE		A,B1SHL0.73
R114-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL-
1-YLMETHYL)-1H-BENZOIMIDAZOL-2-
YLMETHYL]-AMINO}-BENZAMIDINE		A1G2M0.7
R114-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL-
1-YLMETHYL)-1H-BENZOIMIDAZOL-2-
YLMETHYL]-AMINO}-BENZAMIDINE		B,C1G320.7
R114-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL-
1-YLMETHYL)-1H-BENZOIMIDAZOL-2-
YLMETHYL]-AMINO}-BENZAMIDINE		A1G360.7
DBN6-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)-
2-{5-[4-(4,5-DIHYDRO-1H-IMIDAZOL-
2-YL)PHENYL]THIEN-2-YL}-1H-BENZIMIDAZOLE		A2B3E0.71
IZA2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO-
7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE-
7-ONE		A3EYH0.75
IZA2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO-
7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE-
7-ONE		A,B2B7A0.75
IZA2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO-
7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE-
7-ONE		A,B2J900.75
S606-amino-2-methyl-1,7-dihydro-8H-
imidazo[4,5-g]quinazolin-8-one		A3C2Y0.78
BTH4-OXO-3-{6-[4-(QUINOXALIN-2-YLAMINO)-
BENZOYLAMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-
PENTANOIC ACID		A1RWO0.7
FXGN-butyl-3-{[6-(9H-purin-6-ylamino)hexanoyl]amino}benzamideA3DAJ0.77
DB92-{4'-[AMINO(IMINO)METHYL]BIPHENYL-
3-YL}-1H-BENZIMIDAZOLE-6-CARBOXIMIDAMIDE		A,B2NLM0.74
IZEN-{(1S)-2-{4-[(5R)-1,1-DIOXIDO-
3-OXOISOTHIAZOLIDIN-5-YL]PHENYL}-
1-[5-(TRIFLUOROMETHYL)-1H-BENZIMIDAZOL-
2-YL]ETHYL}-2,2,2-TRIFLUOROACETAMIDE		A2CNG0.78
DMD5,6-DIMETHYLBENZIMIDAZOLEA1D0S0.72
HAN2-AMINO-5,6-DIMETHYL-BENZIMIDAZOLE-
1-PENTANOIC ACID		B,D,E,H1Y180.7
HAN2-AMINO-5,6-DIMETHYL-BENZIMIDAZOLE-
1-PENTANOIC ACID		A,D,E,F,H1Y0L0.7
BRQ{[4-AMINO-2-(3-CHLOROANILINO)-1,3-
THIAZOL-5-YL](4-FLUOROPHENYL)METHANONE		A2IZS0.72
AIQ2,6-DIAMINO-8-(1H-IMIDAZOL-2-YLSULFANYLMETHYL)-
3H-QUINAZOLINE-4-ONE		A1K4G0.73
AIQ2,6-DIAMINO-8-(1H-IMIDAZOL-2-YLSULFANYLMETHYL)-
3H-QUINAZOLINE-4-ONE		A1Q630.73
F32(5S)-5-{4-[(2S)-2-(1H-BENZIMIDAZOL-
2-YL)-2-(1,3-BENZOTHIAZOL-2-YLAMINO)ETHYL]PHENYL}ISOTHIAZOLIDIN-
3-ONE 1,1-DIOXIDE		A2CNF0.75
L0C4-{[2-(4-{[(4-FLUOROPHENYL)CARBONYL]AMINO}-
1H-PYRAZOL-3-YL)-1H-BENZIMIDAZOL-
6-YL]METHYL}MORPHOLIN-4-IUM		A2W1C0.71
IYZ1-(3-{6-[(CYCLOPROPYLMETHYL)AMINO]IMIDAZO[1,2-
B]PYRIDAZIN-3-YL}PHENYL)ETHANONE		B2C3I0.72
STS2-[(1S)-1-BENZYL-2-SULFANYLETHYL]-
1H-IMIDAZO[4,5-C]PYRIDIN-5-IUM		A1Y8J0.7
3446-AMINO-3,7-DIHYDRO-IMIDAZO[4,5-
G]QUINAZOLIN-8-ONE		A2BBF0.75
NE86-AMINO-4-(2-PHENYLETHYL)-1,7-DIHYDRO-
8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE		A1Y5V0.77
TSXN-[4-(1-ALLYL-3-BUTYL-2,6-DIOXO-
2,3,6,7-TETRAHYDRO-1H-PURIN-8-YLMETHYL)-
PHENYL]-ACETAMIDE		A1M510.73
L0FN-[3-(1H-BENZIMIDAZOL-2-YL)-1H-
PYRAZOL-4-YL]BENZAMIDE		A2W1F0.76
G372-(BENZYLCARBAMOYL-PHENYLACETYLAMINO-
METHYL)-5,5-DIMETHYL-THIAZOLIDINE-
4-CARBOXYLIC ACID 3-[(1H-BENZIMIDAZOL-
2-YLMETHYLCARBAMOYL)-1-BENZYL-2-
HYDROXYPROPYL]-AMIDE		A1HTG0.74
SPP(1-(5-METHANSULPHONAMIDO-1H-INDOL-
2-YL-CARBONYL)4-[METHYLAMINO)PYRIDINYL]PIPERAZINE		A1KLM0.73
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1G9B0.74
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1G9C0.74
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1XUG0.74
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1G9A0.74
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1C1T0.74
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1G9D0.74
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEH,I1C1V0.74
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1C1S0.74
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1XUK0.74
CKR6-amino-2-[(2-morpholin-4-ylethyl)amino]-
3,7-dihydro-8H-imidazo[4,5-g]quinazolin-
8-one		A3C2N0.73
BAKBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONEA1C2I0.76
BAKBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONEA1C2J0.76
BAKBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONEA1C2H0.76
BAKBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONEA1C2D0.76
BAKBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONEA1C2E0.76
B18(4R)-N-[4-({[2-(DIMETHYLAMINO)ETHYL]AMINO}CARBONYL)-
1,3-THIAZOL-2-YL]-4-METHYL-1-OXO-
2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE-
6-CARBOXAMIDE		A,B,C2PZY0.77
NEZ6-AMINO-4-[2-(4-METHYLPHENYL)ETHYL]-
1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-
8-ONE		A1Y5W0.77
D2A2-(4'-AMIDINOBIPHENYL-4-YL)-1H-
BENZIMIDAZOLE-5-AMIDINE		A2B0K0.75
BZCA1EFY0.73
5MB5-METHYLBENZIMIDAZOLEA1JHM0.73
NILNilotinibA,B,C,D3CS90.71
NILNilotinibA3GP00.71
NZOnocodazoleA,B3EE20.84
ABI5-AMIDINO-BENZIMIDAZOLEA1C2K0.72
1202-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-
YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE		B1GI70.77
1202-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-
YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE		H,I1GHV0.77
1202-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-
YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE		A1GHZ0.77
553(7S)-2-(2-aminopyrimidin-4-yl)-
7-(2-fluoroethyl)-1,5,6,7-tetrahydro-
4H-pyrrolo[3,2-c]pyridin-4-one		A,B3DU80.71
AAItrans-4-(7-carbamoyl-1H-benzimidazol-
2-yl)-1-propylpiperidinium		A2RCW0.79
D1B2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}-
2-THIENYL)-1H-BENZIMIDAZOLE-6- CARBOXIMIDAMIDE DIHYDROCHLORIDE		A1VZK0.74
M1B2-{3'-[AMINO(IMINO)METHYL]BIPHENYL-
4-YL}-1H-BENZIMIDAZOLE-5-CARBOXIMIDAMIDE		A2I5A0.74
BAOBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANONEA1XUH0.77
BAOBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANONEA1XUI0.77