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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01207819

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
C3AALLYL {(1S)-1-[(5-{4-[(2,3-DIHYDRO-
1H-INDEN-2-YLAMINO)CARBONYL]BENZYL}-
1,2,4-OXADIAZOL-3-YL)CARBONYL]-
3-PYRROLIDIN-3-YLPROPYL}CARBAMATE
A,B,C,D2FS80.72
C3AALLYL {(1S)-1-[(5-{4-[(2,3-DIHYDRO-
1H-INDEN-2-YLAMINO)CARBONYL]BENZYL}-
1,2,4-OXADIAZOL-3-YL)CARBONYL]-
3-PYRROLIDIN-3-YLPROPYL}CARBAMATE
A,B,C,D2FXR0.72
PY35-[AMINO(IMINO)METHYL]-2-[({[6-
[3-AMINO-5-({[(1R)-1-METHYLPROPYL]AMINO}CARBONYL)PHENYL]-
3-(ISOPROPYLAMINO)-2-OXOPYRAZIN-
1(2H)-YL]ACETYL}AMINO)METHYL]-N-
PYRIDIN-4-YLBENZAMIDE
H,L1Z6J0.71
PB4N,N'-BIS(4-FLUORO-3-METHYLBENZYL)PYRIMIDINE-
4,6-DICARBOXAMIDE
A,B1XUD0.72
78P(2R)-2-(7-carbamoyl-1H-benzimidazol-
2-yl)-2-methylpyrrolidinium
A2RD60.7
AAItrans-4-(7-carbamoyl-1H-benzimidazol-
2-yl)-1-propylpiperidinium
A2RCW0.72
C243-({2-[(4-CARBAMIMIDOYL-PHENYLAMINO)-
METHYL]-3-METHYL-3H-BENZOIMIDAZOLE-
5-CARBONYL}-PYRIDIN-2-YL-AMINO)-
PROPIONIC ACID ETHYL ESTER
B,C1KTS0.7
BTO4-[3-(3-NITROPHENYL)-1,2,4-OXADIAZOL-
5-YL]BUTANOIC ACID
A2IKG0.72
FXGN-butyl-3-{[6-(9H-purin-6-ylamino)hexanoyl]amino}benzamideA3DAJ0.72
C4AETHYL {(1S)-5-AMINO-1-[(5-{4-[(2,3-
DIHYDRO-1H-INDEN-2-YLAMINO)CARBONYL]BENZYL}-
1,2,4-OXADIAZOL-3-YL)CARBONYL]PENTYL}CARBAMATE
A,B,C,D2FS90.74
PB3N,N'-BIS(3-METHYLBENZYL)PYRIMIDINE-
4,6-DICARBOXAMIDE
A,B1XUC0.73
RA4N-(4-NITROBENZOYL)-L-LEUCYL-N-(4-
{[AMINO(IMINO)METHYL]AMINO}BUTYL)-
L-PROLINAMIDE
H,I1YPM0.78
IFCN-[2-methyl-5-({[3-(4-methyl-1H-
imidazol-1-yl)-5-(trifluoromethyl)phenyl]carbonyl}amino)phenyl]isoxazole-
5-carboxamide
A3DZQ0.71
C92N'-(6-aminopyridin-3-yl)-N-(2-cyclopentylethyl)-
4-methyl-benzene-1,3-dicarboxamide
A,B3CPB0.71