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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00039064

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
GPI(2S)-[3-PYRIDYL-1-PROPYL]-1-[3,3-
DIMETHYL-1,2-DIOXOPENTYL]-2-PYRROLIDINECARBOXYLATE
A1F400.71
C48N1-(1-DIMETHYLCARBAMOYL-2-PHENYL-
ETHYL)-2-OXO-N4-(2-PYRIDIN-2-YL-
ETHYL)-SUCCINAMIDE
A1CVZ0.71
PPX[PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN-
4-YLAMINO)-ETHYL]-AMINE
E,H1QBV0.71
AIKN-[3-(DIMETHYLAMINO)PROPYL]-2-({[4-
({[4-(FORMYLAMINO)-1-METHYL-1H-
PYRROL-2-YL]CARBONYL}AMINO)-1-METHYL-
1H-PYRROL-2-YL]CARBONYL}AMINO)-
5-ISOPROPYL-1,3-THIAZOLE-4-CARBOXAMIDE
A,B1RMX0.74
162(2-{2-[(5-CARBAMIMIDOYL-1-METHYL-
1H-PYRROL-3-YLMETHYL)-CARBAMOYL]-
PYRROL-1-YL} -1-CYCLOHEXYLMETHYL-
2-OXO-ETHYLAMINO)-ACETIC ACID
D,H1NZQ0.85
9DG9-DEAZAGUANINEA,B,C,D,E1Q2S0.71
9DG9-DEAZAGUANINEA1IL40.71
9DG9-DEAZAGUANINEA,C1FSG0.71
9DG9-DEAZAGUANINEA,B,C,D1Q2R0.71
FRNA2CV30.71
N12N-[(1R)-2-[(1-{[({6-[AMINO(IMINO)METHYL]PYRIDIN-
3-YL}METHYL)AMINO]CARBONYL}CYCLOPENTYL)AMINO]-
1-(CYCLOHEXYLMETHYL)-2-OXOETHYL]GLYCINE
H,P2ANK0.74
RRSN4-HYDROXY-2-ISOBUTYL-N1-(9-OXO-
1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA-
12(19),13,15,17-TETRAEN-10-YL)-
SUCCINAMIDE
A1MMQ0.71
T42MORPHOLINO-DIPHENYLALANINE-METHOXYPROPYLBORONIC ACIDH,I1AI80.81
IIPIMIDAZOLE-PYRROLE POLYAMIDEA,B365D0.77
CYEB1PQQ0.72
163(2-{2-[(5-CARBAMIMIDOYL-1-METHYL-
1H-PYRROL-2-YLMETHYL)-CARBAMOYL]-
PYRROL-1-YL}- 1-CYCLOHEXYLMETHYL-
2-OXO-ETHYLAMINO)-ACETIC ACID
D,H1O0D0.86
CDO2-((R)-1-((S)-2-(N-(6-CARBAMIMIDOYLPYRIDIN-
3-YL)METHYLCARBAMOYL)-2H-PYRROL-
1(5H)-YL)-3-CYCLOHEXYL-1-OXOPROPAN-
2-YLAMINO)ACETIC ACID
H2ANM0.74
PB5N,N'-BIS(PYRIDIN-3-YLMETHYL)PYRIMIDINE-
4,6-DICARBOXAMIDE
A,B1XUR0.71
PYCPYRROLE-2-CARBOXYLATEA1W620.74
PYCPYRROLE-2-CARBOXYLATEA,B1L9D0.74
PYCPYRROLE-2-CARBOXYLATEA,B2CWH0.74
PYCPYRROLE-2-CARBOXYLATEA,B1W610.74
PYCPYRROLE-2-CARBOXYLATEA,B1ELI0.74
DBQDEBROMOHYMENIALDISINEA2C3J0.74
DBQDEBROMOHYMENIALDISINEA,B1U4D0.74
DBQDEBROMOHYMENIALDISINEA2CN80.74
DBQDEBROMOHYMENIALDISINEA1Z570.74
HP1IMIDAZOLE-PYRROLE-HYDROXYPYRROLE POLYAMIDEA,B407D0.76
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDA,D,E,G,I,J1S320.73
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDD,I,J1M180.73
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDE,I,J1M1A0.73
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDE,I,J1M190.73
P11IMIDAZOLE-PYRROLE-BETA ALANINE-
IMIDAZOLE-BETA ALANINE-IMIDAZOLE-
PYRROLE-BETA ALANINE-DIMETHYLAMINO PROPYLAMIDE
A1LEJ0.75
RSS5-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA-
12(19),13,15,17-TETRAEN-10-YLCARBAMOYL)-
HEXANOIC ACID
A,B1MMP0.71
T19PHENYLMETHYLENECARBOXY-(METHYLENEAMINO-
FORMYL-DIPHENYLMETHYL)METHY-PRO-
BOROVAL
H,I1AIX0.74
34Q(3R,4R)-4-(pyrrolidin-1-ylcarbonyl)-
1-(quinoxalin-2-ylcarbonyl)pyrrolidin-
3-amine
A2RIP0.75
ILTMONOIMIDAZOLE LEXITROPSINA1LEY0.78
ILTMONOIMIDAZOLE LEXITROPSINB1LEX0.78
279N-ethyl-4-{[5-(methoxycarbamoyl)-
2-methylphenyl]amino}-5-methylpyrrolo[2,1-
f][1,2,4]triazine-6-carboxamide
A2RG50.7
9HX9-DEAZAHYPOXANTHINEA,B,C1I800.7
DMYDISTAMYCIN AA217D0.79
DMYDISTAMYCIN AA1K2Z0.79
DMYDISTAMYCIN AA,B,E,F2JT70.79
DMYDISTAMYCIN AA,B267D0.79
DMYDISTAMYCIN AA306D0.79
DMYDISTAMYCIN AA304D0.79
DMYDISTAMYCIN AA305D0.79
DMYDISTAMYCIN AA1JUX0.79
DMYDISTAMYCIN AA2DND0.79
DMYDISTAMYCIN AA,B,C,D378D0.79
DMYDISTAMYCIN AB1JTL0.79
DMYDISTAMYCIN AA159D0.79
DMYDISTAMYCIN AA216D0.79
NA9N-(CARBOXYMETHYL)-3-CYCLOHEXYL-
D-ALANYL-N-({6-[AMINO(IMINO)METHYL]PYRIDIN-
3-YL}METHYL)-N~2~-METHYL-L-ALANINAMIDE
H,P2A2X0.75
IPYIMIDAZOLE-PYRROLE POLYAMIDEA,B408D0.77
IPYIMIDAZOLE-PYRROLE POLYAMIDEA,B1CVY0.77
AXD2-[4-({2-[(2S,5R)-2-(AMINOMETHYL)-
5-ETHYNYLPYRROLIDIN-1-YL]-2-OXOETHYL}AMINO)-
4-METHYLPIPERIDIN-1-YL]ISONICOTINIC ACID
B2I030.7
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
A2W170.71
19AN,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL-
3-YL)-1H-PYRROLE-2-CARBOXAMIDE
A2OJG0.72
HP2HYDROXYPYRROLE-IMIDAZOLE-PYRROLE POLYAMIDEA,B1CVX0.71