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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03524393

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2631-(azidomethyl)-3-methylbenzeneX2RB20.85
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.71
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.79
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.83
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
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.79
BENBENZAMIDINEA2TIO0.72
BENBENZAMIDINEA1J150.72
BENBENZAMIDINEA,B3BEU0.72
BENBENZAMIDINET1V2U0.72
BENBENZAMIDINEA,B,C,D,E,F3CF80.72
BENBENZAMIDINEA1S0R0.72
BENBENZAMIDINEA,B1V160.72
BENBENZAMIDINEA1CC70.72
BENBENZAMIDINEA3BG80.72
BENBENZAMIDINEA1CC80.72
BENBENZAMIDINEA3PTB0.72
BENBENZAMIDINEA,B1TRM0.72
BENBENZAMIDINEA1ZHR0.72
BENBENZAMIDINEA,B,C,D,E,F1NKZ0.72
BENBENZAMIDINEA2BLV0.72
BENBENZAMIDINEA,B,C,D,E,F2GLP0.72
BENBENZAMIDINEH,I3D490.72
BENBENZAMIDINEH,L,T2AER0.72
BENBENZAMIDINEA1J140.72
BENBENZAMIDINEA1NSA0.72
BENBENZAMIDINEA2AYW0.72
BENBENZAMIDINEA1BRA0.72
BENBENZAMIDINEA,B,C,D1A0J0.72
BENBENZAMIDINEB,C,D2AST0.72
BENBENZAMIDINEA,B2CKR0.72
BENBENZAMIDINEA1LPU0.72
BENBENZAMIDINEA1ZHM0.72
BENBENZAMIDINEA1J8A0.72
BENBENZAMIDINEA,B3BCX0.72
BENBENZAMIDINEA,B,C,D,E,F3CF90.72
BENBENZAMIDINEA,B,C,D,E,F3D040.72
BENBENZAMIDINEA,B,C,D,E,F2GLL0.72
BENBENZAMIDINEA1AND0.72
BENBENZAMIDINEA2TBS0.72
BENBENZAMIDINEA,B,C,D,E,F3DP20.72
BENBENZAMIDINET1V2M0.72
BENBENZAMIDINEA2EEK0.72
BENBENZAMIDINEH,I2ZI20.72
BENBENZAMIDINET1V2J0.72
BENBENZAMIDINEH1KLI0.72
BENBENZAMIDINEA1CE50.72
BENBENZAMIDINEA,B,C,D,E,F3B7J0.72
BENBENZAMIDINEB,Y2PKA0.72
BENBENZAMIDINEA2VJ00.72
BENBENZAMIDINEA3B3J0.72
BENBENZAMIDINEA,B,C,D,E,F3DOY0.72
BENBENZAMIDINEA,B,C,D,E,F3DP30.72
BENBENZAMIDINEA,B,C,D,E,F2GLM0.72
BENBENZAMIDINEA1ANB0.72
BENBENZAMIDINEA1LO60.72
BENBENZAMIDINEA1LR40.72
BENBENZAMIDINEA,B1V1M0.72
BENBENZAMIDINEA1ZHP0.72
BENBENZAMIDINEA2J9N0.72
BENBENZAMIDINEA2BMV0.72
BENBENZAMIDINEA,B2CKS0.72
BENBENZAMIDINEA2BLW0.72
BENBENZAMIDINEA1J160.72
BENBENZAMIDINEA,B1V110.72
BENBENZAMIDINEA,B,C,D,E,F3DP00.72
BENBENZAMIDINEB1RTF0.72
BENBENZAMIDINEA,B,C,D,E,F3DP10.72
BENBENZAMIDINEA,B,C,D2E580.72
BENBENZAMIDINEA2TRM0.72
BENBENZAMIDINET1V2V0.72
BENBENZAMIDINEA1MBQ0.72
BENBENZAMIDINEA,B,C,D,E,F3DOZ0.72
BENBENZAMIDINEA2O8U0.72
BENBENZAMIDINEH1DWB0.72
BENBENZAMIDINEB,C2ASS0.72
BENBENZAMIDINEA1ANE0.72
BENBENZAMIDINEH,I2ZIQ0.72
BENBENZAMIDINEA1BIT0.72
BENBENZAMIDINEA2AIQ0.72
BENBENZAMIDINEA2OQ50.72
BENBENZAMIDINEA1ANC0.72
BENBENZAMIDINEH1JBU0.72
BENBENZAMIDINEA,B2BPQ0.72
BENBENZAMIDINEA,B,C,D2GNN0.72
BENBENZAMIDINET1V2S0.72
BENBENZAMIDINEA1H4W0.72
BENBENZAMIDINEA1OSS0.72
BENBENZAMIDINEA1W800.72
BENBENZAMIDINEA1BTY0.72
BENBENZAMIDINEH,I2ZFQ0.72
BENBENZAMIDINEA1EAX0.72
BENBENZAMIDINEA1L2E0.72
BENBENZAMIDINEA1WRI0.72
BENBENZAMIDINEA,B3BB80.72
BENBENZAMIDINEA2OXS0.72
BENBENZAMIDINEA1DPO0.72
BENBENZAMIDINET1V2L0.72
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.84
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.84
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.84
BNFN-BENZYLFORMAMIDEA,B1U3U0.86
1MRN-METHYLANILINEX2OTZ0.7
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.8
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.8
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.83
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.83
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.83
BAMBENZAMIDINEU1F5K0.72
BAMBENZAMIDINEX2BY80.72
BAMBENZAMIDINEB2PSM0.72
BAMBENZAMIDINEX2BY90.72
BAMBENZAMIDINEA1C1N0.72
BAMBENZAMIDINEX2BY60.72
BAMBENZAMIDINEH,I1C5O0.72
BAMBENZAMIDINEA1XX40.72
BAMBENZAMIDINEA1HJ80.72
BAMBENZAMIDINEA1C5P0.72
BAMBENZAMIDINEB1C5Z0.72
BAMBENZAMIDINEA,B1ZVW0.72
BAMBENZAMIDINEA2ANW0.72
BAMBENZAMIDINEA2ANY0.72
BAMBENZAMIDINEX2BYA0.72
BAMBENZAMIDINEA1TIO0.72
BAMBENZAMIDINEX2BY50.72
BAMBENZAMIDINEX2BY70.72
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.82
ABNBENZYLAMINED,H2HXC0.86
ABNBENZYLAMINEA,I1A860.86
ABNBENZYLAMINEA1UTN0.86
ABNBENZYLAMINEA1N6X0.86
ABNBENZYLAMINEA2BZA0.86
ABNBENZYLAMINEA2EUS0.86
ABNBENZYLAMINEA1N6Y0.86
ABNBENZYLAMINEA1UTJ0.86
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.85
51UD-phenylalanyl-N-(3-methylbenzyl)-
L-prolinamide
H,I2ZF00.7
271N-methyl-1-phenylmethanamineX2RBT0.95
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.76