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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02805665

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3BT2-{2-[3-(2-CARBAMIMIDOYLSULFANYL-
ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA
A,B1D1Y0.71
APAAMIDO PHENYL PYRUVIC ACIDH,I1AHT0.7
APAAMIDO PHENYL PYRUVIC ACIDA,B,C,D1A0L0.7
APAAMIDO PHENYL PYRUVIC ACIDA1TPP0.7
4BZ4-(HYDROXYMETHYL)BENZAMIDINEA1S6H0.72
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.7
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.7
B2FPHENYLALANINE BORONIC ACIDA,P1P060.7
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.7
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.7
4CM(4-CARBAMIMIDOYLPHENYL)-METHYL-
PHOSPHINIC ACID
A1TX70.82
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.78
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.78
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.78
2631-(azidomethyl)-3-methylbenzeneX2RB20.78
BAMBENZAMIDINEU1F5K0.9
BAMBENZAMIDINEX2BY80.9
BAMBENZAMIDINEB2PSM0.9
BAMBENZAMIDINEX2BY90.9
BAMBENZAMIDINEA1C1N0.9
BAMBENZAMIDINEX2BY60.9
BAMBENZAMIDINEH,I1C5O0.9
BAMBENZAMIDINEA1XX40.9
BAMBENZAMIDINEA1HJ80.9
BAMBENZAMIDINEA1C5P0.9
BAMBENZAMIDINEB1C5Z0.9
BAMBENZAMIDINEA,B1ZVW0.9
BAMBENZAMIDINEA2ANW0.9
BAMBENZAMIDINEA2ANY0.9
BAMBENZAMIDINEX2BYA0.9
BAMBENZAMIDINEA1TIO0.9
BAMBENZAMIDINEX2BY50.9
BAMBENZAMIDINEX2BY70.9
34A3,4-DIMETHYLANILINEA1L4K0.72
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.78
AM44-(METHYLSULFONYL)BENZENECARBOXIMIDAMIDEA1TX80.76
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.78
ABNBENZYLAMINED,H2HXC0.75
ABNBENZYLAMINEA,I1A860.75
ABNBENZYLAMINEA1UTN0.75
ABNBENZYLAMINEA1N6X0.75
ABNBENZYLAMINEA2BZA0.75
ABNBENZYLAMINEA2EUS0.75
ABNBENZYLAMINEA1N6Y0.75
ABNBENZYLAMINEA1UTJ0.75
BBA2,7-BIS-(4-AMIDINOBENZYLIDENE)-
CYCLOHEPTAN-1-ONE
A,B1A5H0.76
BBA2,7-BIS-(4-AMIDINOBENZYLIDENE)-
CYCLOHEPTAN-1-ONE
T1V2N0.76
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.72
271N-methyl-1-phenylmethanamineX2RBT0.73
BZZBENZYLHYDRAZINEA,B2E2V0.71
BENBENZAMIDINEA2TIO0.9
BENBENZAMIDINEA1J150.9
BENBENZAMIDINEA,B3BEU0.9
BENBENZAMIDINET1V2U0.9
BENBENZAMIDINEA,B,C,D,E,F3CF80.9
BENBENZAMIDINEA1S0R0.9
BENBENZAMIDINEA,B1V160.9
BENBENZAMIDINEA1CC70.9
BENBENZAMIDINEA3BG80.9
BENBENZAMIDINEA1CC80.9
BENBENZAMIDINEA3PTB0.9
BENBENZAMIDINEA,B1TRM0.9
BENBENZAMIDINEA1ZHR0.9
BENBENZAMIDINEA,B,C,D,E,F1NKZ0.9
BENBENZAMIDINEA2BLV0.9
BENBENZAMIDINEA,B,C,D,E,F2GLP0.9
BENBENZAMIDINEH,I3D490.9
BENBENZAMIDINEH,L,T2AER0.9
BENBENZAMIDINEA1J140.9
BENBENZAMIDINEA1NSA0.9
BENBENZAMIDINEA2AYW0.9
BENBENZAMIDINEA1BRA0.9
BENBENZAMIDINEA,B,C,D1A0J0.9
BENBENZAMIDINEB,C,D2AST0.9
BENBENZAMIDINEA,B2CKR0.9
BENBENZAMIDINEA1LPU0.9
BENBENZAMIDINEA1ZHM0.9
BENBENZAMIDINEA1J8A0.9
BENBENZAMIDINEA,B3BCX0.9
BENBENZAMIDINEA,B,C,D,E,F3CF90.9
BENBENZAMIDINEA,B,C,D,E,F3D040.9
BENBENZAMIDINEA,B,C,D,E,F2GLL0.9
BENBENZAMIDINEA1AND0.9
BENBENZAMIDINEA2TBS0.9
BENBENZAMIDINEA,B,C,D,E,F3DP20.9
BENBENZAMIDINET1V2M0.9
BENBENZAMIDINEA2EEK0.9
BENBENZAMIDINEH,I2ZI20.9
BENBENZAMIDINET1V2J0.9
BENBENZAMIDINEH1KLI0.9
BENBENZAMIDINEA1CE50.9
BENBENZAMIDINEA,B,C,D,E,F3B7J0.9
BENBENZAMIDINEB,Y2PKA0.9
BENBENZAMIDINEA2VJ00.9
BENBENZAMIDINEA3B3J0.9
BENBENZAMIDINEA,B,C,D,E,F3DOY0.9
BENBENZAMIDINEA,B,C,D,E,F3DP30.9
BENBENZAMIDINEA,B,C,D,E,F2GLM0.9
BENBENZAMIDINEA1ANB0.9
BENBENZAMIDINEA1LO60.9
BENBENZAMIDINEA1LR40.9
BENBENZAMIDINEA,B1V1M0.9
BENBENZAMIDINEA1ZHP0.9
BENBENZAMIDINEA2J9N0.9
BENBENZAMIDINEA2BMV0.9
BENBENZAMIDINEA,B2CKS0.9
BENBENZAMIDINEA2BLW0.9
BENBENZAMIDINEA1J160.9
BENBENZAMIDINEA,B1V110.9
BENBENZAMIDINEA,B,C,D,E,F3DP00.9
BENBENZAMIDINEB1RTF0.9
BENBENZAMIDINEA,B,C,D,E,F3DP10.9
BENBENZAMIDINEA,B,C,D2E580.9
BENBENZAMIDINEA2TRM0.9
BENBENZAMIDINET1V2V0.9
BENBENZAMIDINEA1MBQ0.9
BENBENZAMIDINEA,B,C,D,E,F3DOZ0.9
BENBENZAMIDINEA2O8U0.9
BENBENZAMIDINEH1DWB0.9
BENBENZAMIDINEB,C2ASS0.9
BENBENZAMIDINEA1ANE0.9
BENBENZAMIDINEH,I2ZIQ0.9
BENBENZAMIDINEA1BIT0.9
BENBENZAMIDINEA2AIQ0.9
BENBENZAMIDINEA2OQ50.9
BENBENZAMIDINEA1ANC0.9
BENBENZAMIDINEH1JBU0.9
BENBENZAMIDINEA,B2BPQ0.9
BENBENZAMIDINEA,B,C,D2GNN0.9
BENBENZAMIDINET1V2S0.9
BENBENZAMIDINEA1H4W0.9
BENBENZAMIDINEA1OSS0.9
BENBENZAMIDINEA1W800.9
BENBENZAMIDINEA1BTY0.9
BENBENZAMIDINEH,I2ZFQ0.9
BENBENZAMIDINEA1EAX0.9
BENBENZAMIDINEA1L2E0.9
BENBENZAMIDINEA1WRI0.9
BENBENZAMIDINEA,B3BB80.9
BENBENZAMIDINEA2OXS0.9
BENBENZAMIDINEA1DPO0.9
BENBENZAMIDINET1V2L0.9
745TRANS-6-(2-PHENYLCYCLOPROPYL)-NAPHTHALENE-
2-CARBOXAMIDINE
A1U6Q0.81
BRNBERENILA,B268D0.73
BRNBERENILA,B1D630.73
BRNBERENILA,D,E2GBY0.73
BRNBERENILA2DBE0.73
BRNBERENILA2GVR0.73