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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03451396

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.79
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.78
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.78
B2FPHENYLALANINE BORONIC ACIDA,P1P060.78
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.78
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.78
998N-METHYLALANYL-3-METHYLVALYL-N-
(1,2,3,4-TETRAHYDRONAPHTHALEN-1-
YL)PROLINAMIDE
A1TFQ0.7
271N-methyl-1-phenylmethanamineX2RBT0.9
ABNBENZYLAMINED,H2HXC0.83
ABNBENZYLAMINEA,I1A860.83
ABNBENZYLAMINEA1UTN0.83
ABNBENZYLAMINEA1N6X0.83
ABNBENZYLAMINEA2BZA0.83
ABNBENZYLAMINEA2EUS0.83
ABNBENZYLAMINEA1N6Y0.83
ABNBENZYLAMINEA1UTJ0.83
2631-(azidomethyl)-3-methylbenzeneX2RB20.78
51UD-phenylalanyl-N-(3-methylbenzyl)-
L-prolinamide
H,I2ZF00.71
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.77
37UD-phenylalanyl-N-(3-fluorobenzyl)-
L-prolinamide
H,I2ZDV0.71
53UD-phenylalanyl-N-benzyl-L-prolinamideH,I2ZFF0.73
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.78
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.8
24U1-butanoyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZI20.7
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.82
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.82
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.82
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.73
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.75
264(phenylamino)acetonitrileA2RBN0.72
29U1-[(2R)-2-aminobutanoyl]-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZGX0.7
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.71