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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02649397

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.82
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.7
51UD-phenylalanyl-N-(3-methylbenzyl)-
L-prolinamide
H,I2ZF00.71
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.79
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.75
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.75
B2FPHENYLALANINE BORONIC ACIDA,P1P060.75
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.75
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.75
37UD-phenylalanyl-N-(3-fluorobenzyl)-
L-prolinamide
H,I2ZDV0.71
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.72
BIC3-AMINO-3-BENZYL-9-CARBOXAMIDE[4.3.0]BICYCLO-
1,6-DIAZANONAN-2-ONE
H,I1A5G0.72
BIC3-AMINO-3-BENZYL-9-CARBOXAMIDE[4.3.0]BICYCLO-
1,6-DIAZANONAN-2-ONE
H,I1A460.72
BIC3-AMINO-3-BENZYL-9-CARBOXAMIDE[4.3.0]BICYCLO-
1,6-DIAZANONAN-2-ONE
H,I1A610.72
3575-ETHYL-3-[(2-METHOXYETHYL)METHYLAMINO]-
6-METHYL-4-(3-METHYLBENZYL)PYRIDIN-
2(1H)-ONE
A2BAN0.7
53UD-phenylalanyl-N-benzyl-L-prolinamideH,I2ZFF0.73
44Ubeta-phenyl-D-phenylalanyl-N-propyl-
L-prolinamide
B,D3DA90.73
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.82
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.82
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.82
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
B,C1GG60.7
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G6GCH0.7
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.78
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.7
872(3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-
3-(2,2,2-TRIFLUOROETHYL)-1,4-DIAZEPAN-
2-ONE
A,B2IIT0.71
271N-methyl-1-phenylmethanamineX2RBT0.73
BCC6-AMINO-6-BENZYL-5-OXO-OCTAHYDRO-
INDOLIZINE-3-CARBALDEHYDE
H,I,R1B5G0.74
5FH(5S)-5-benzylimidazolidine-2,4-
dione
A2JLO0.71
565(3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-
3-METHYL-1,4-DIAZEPAN-2-ONE
A,B2IIV0.72