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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02163440

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2631-(azidomethyl)-3-methylbenzeneX2RB20.75
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.73
BAMBENZAMIDINEU1F5K0.87
BAMBENZAMIDINEX2BY80.87
BAMBENZAMIDINEB2PSM0.87
BAMBENZAMIDINEX2BY90.87
BAMBENZAMIDINEA1C1N0.87
BAMBENZAMIDINEX2BY60.87
BAMBENZAMIDINEH,I1C5O0.87
BAMBENZAMIDINEA1XX40.87
BAMBENZAMIDINEA1HJ80.87
BAMBENZAMIDINEA1C5P0.87
BAMBENZAMIDINEB1C5Z0.87
BAMBENZAMIDINEA,B1ZVW0.87
BAMBENZAMIDINEA2ANW0.87
BAMBENZAMIDINEA2ANY0.87
BAMBENZAMIDINEX2BYA0.87
BAMBENZAMIDINEA1TIO0.87
BAMBENZAMIDINEX2BY50.87
BAMBENZAMIDINEX2BY70.87
PRA3-PHENYLPROPYLAMINEA1TNK0.71
PRA3-PHENYLPROPYLAMINEM1UTL0.71
APHP-AMIDINOPHENYL-3-ALANINEE,I1PPC0.71
APHP-AMIDINOPHENYL-3-ALANINEH1ETS0.71
APHP-AMIDINOPHENYL-3-ALANINEH1ETT0.71
APHP-AMIDINOPHENYL-3-ALANINEI1QUR0.71
PBN4-PHENYLBUTYLAMINEA1TNI0.71
PBN4-PHENYLBUTYLAMINEA1UTP0.71
SBZ[4-(1,3,2-DIOXABOROLAN-2-YLOXY)METHYL]BENZAMIDINEA1S850.73
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.72
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.72
BBA2,7-BIS-(4-AMIDINOBENZYLIDENE)-
CYCLOHEPTAN-1-ONE
A,B1A5H0.77
BBA2,7-BIS-(4-AMIDINOBENZYLIDENE)-
CYCLOHEPTAN-1-ONE
T1V2N0.77
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.71
IN4+/-METHYL 4-(AMINOIMINOMETHYL)-
BETA-[3- INH (AMINOIMINO)PHENYL]BENZENE PENTANOATE
A1AZ80.72
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.74
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.74
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.74
745TRANS-6-(2-PHENYLCYCLOPROPYL)-NAPHTHALENE-
2-CARBOXAMIDINE
A1U6Q0.77
BZZBENZYLHYDRAZINEA,B2E2V0.7
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.71
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.71
CGQ3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-
HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-
IMINOMETHYL]-BENZAMIDINIUM
A,B,D,E2G0E0.74
CGQ3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-
HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-
IMINOMETHYL]-BENZAMIDINIUM
A,B1M6F0.74
4CM(4-CARBAMIMIDOYLPHENYL)-METHYL-
PHOSPHINIC ACID
A1TX70.83
APAAMIDO PHENYL PYRUVIC ACIDH,I1AHT0.73
APAAMIDO PHENYL PYRUVIC ACIDA,B,C,D1A0L0.73
APAAMIDO PHENYL PYRUVIC ACIDA1TPP0.73
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.72
PEA2-PHENYLETHYLAMINEA1TNJ0.72
PEA2-PHENYLETHYLAMINED,H2HKM0.72
PEA2-PHENYLETHYLAMINEA1UTO0.72
PEA2-PHENYLETHYLAMINEA,B1D6Y0.72
PEA2-PHENYLETHYLAMINEA,B1D6Z0.72
PEA2-PHENYLETHYLAMINEA,B1D6U0.72
PEA2-PHENYLETHYLAMINEA1UTM0.72
4BZ4-(HYDROXYMETHYL)BENZAMIDINEA1S6H0.74
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.73
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.73
B2FPHENYLALANINE BORONIC ACIDA,P1P060.73
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.73
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.73
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.71
FBA4-FLUOROBENZYLAMINEA1TNH0.71
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.76
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.76
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.71
BENBENZAMIDINEA2TIO0.87
BENBENZAMIDINEA1J150.87
BENBENZAMIDINEA,B3BEU0.87
BENBENZAMIDINET1V2U0.87
BENBENZAMIDINEA,B,C,D,E,F3CF80.87
BENBENZAMIDINEA1S0R0.87
BENBENZAMIDINEA,B1V160.87
BENBENZAMIDINEA1CC70.87
BENBENZAMIDINEA3BG80.87
BENBENZAMIDINEA1CC80.87
BENBENZAMIDINEA3PTB0.87
BENBENZAMIDINEA,B1TRM0.87
BENBENZAMIDINEA1ZHR0.87
BENBENZAMIDINEA,B,C,D,E,F1NKZ0.87
BENBENZAMIDINEA2BLV0.87
BENBENZAMIDINEA,B,C,D,E,F2GLP0.87
BENBENZAMIDINEH,I3D490.87
BENBENZAMIDINEH,L,T2AER0.87
BENBENZAMIDINEA1J140.87
BENBENZAMIDINEA1NSA0.87
BENBENZAMIDINEA2AYW0.87
BENBENZAMIDINEA1BRA0.87
BENBENZAMIDINEA,B,C,D1A0J0.87
BENBENZAMIDINEB,C,D2AST0.87
BENBENZAMIDINEA,B2CKR0.87
BENBENZAMIDINEA1LPU0.87
BENBENZAMIDINEA1ZHM0.87
BENBENZAMIDINEA1J8A0.87
BENBENZAMIDINEA,B3BCX0.87
BENBENZAMIDINEA,B,C,D,E,F3CF90.87
BENBENZAMIDINEA,B,C,D,E,F3D040.87
BENBENZAMIDINEA,B,C,D,E,F2GLL0.87
BENBENZAMIDINEA1AND0.87
BENBENZAMIDINEA2TBS0.87
BENBENZAMIDINEA,B,C,D,E,F3DP20.87
BENBENZAMIDINET1V2M0.87
BENBENZAMIDINEA2EEK0.87
BENBENZAMIDINEH,I2ZI20.87
BENBENZAMIDINET1V2J0.87
BENBENZAMIDINEH1KLI0.87
BENBENZAMIDINEA1CE50.87
BENBENZAMIDINEA,B,C,D,E,F3B7J0.87
BENBENZAMIDINEB,Y2PKA0.87
BENBENZAMIDINEA2VJ00.87
BENBENZAMIDINEA3B3J0.87
BENBENZAMIDINEA,B,C,D,E,F3DOY0.87
BENBENZAMIDINEA,B,C,D,E,F3DP30.87
BENBENZAMIDINEA,B,C,D,E,F2GLM0.87
BENBENZAMIDINEA1ANB0.87
BENBENZAMIDINEA1LO60.87
BENBENZAMIDINEA1LR40.87
BENBENZAMIDINEA,B1V1M0.87
BENBENZAMIDINEA1ZHP0.87
BENBENZAMIDINEA2J9N0.87
BENBENZAMIDINEA2BMV0.87
BENBENZAMIDINEA,B2CKS0.87
BENBENZAMIDINEA2BLW0.87
BENBENZAMIDINEA1J160.87
BENBENZAMIDINEA,B1V110.87
BENBENZAMIDINEA,B,C,D,E,F3DP00.87
BENBENZAMIDINEB1RTF0.87
BENBENZAMIDINEA,B,C,D,E,F3DP10.87
BENBENZAMIDINEA,B,C,D2E580.87
BENBENZAMIDINEA2TRM0.87
BENBENZAMIDINET1V2V0.87
BENBENZAMIDINEA1MBQ0.87
BENBENZAMIDINEA,B,C,D,E,F3DOZ0.87
BENBENZAMIDINEA2O8U0.87
BENBENZAMIDINEH1DWB0.87
BENBENZAMIDINEB,C2ASS0.87
BENBENZAMIDINEA1ANE0.87
BENBENZAMIDINEH,I2ZIQ0.87
BENBENZAMIDINEA1BIT0.87
BENBENZAMIDINEA2AIQ0.87
BENBENZAMIDINEA2OQ50.87
BENBENZAMIDINEA1ANC0.87
BENBENZAMIDINEH1JBU0.87
BENBENZAMIDINEA,B2BPQ0.87
BENBENZAMIDINEA,B,C,D2GNN0.87
BENBENZAMIDINET1V2S0.87
BENBENZAMIDINEA1H4W0.87
BENBENZAMIDINEA1OSS0.87
BENBENZAMIDINEA1W800.87
BENBENZAMIDINEA1BTY0.87
BENBENZAMIDINEH,I2ZFQ0.87
BENBENZAMIDINEA1EAX0.87
BENBENZAMIDINEA1L2E0.87
BENBENZAMIDINEA1WRI0.87
BENBENZAMIDINEA,B3BB80.87
BENBENZAMIDINEA2OXS0.87
BENBENZAMIDINEA1DPO0.87
BENBENZAMIDINET1V2L0.87
ABNBENZYLAMINED,H2HXC0.74
ABNBENZYLAMINEA,I1A860.74
ABNBENZYLAMINEA1UTN0.74
ABNBENZYLAMINEA1N6X0.74
ABNBENZYLAMINEA2BZA0.74
ABNBENZYLAMINEA2EUS0.74
ABNBENZYLAMINEA1N6Y0.74
ABNBENZYLAMINEA1UTJ0.74
PBZP-AMINO BENZAMIDINEA,B2BDG0.76
PBZP-AMINO BENZAMIDINEA1RFN0.76
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.76
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.76
PBZP-AMINO BENZAMIDINEA1FIZ0.76
PBZP-AMINO BENZAMIDINEA1FIW0.76
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.76
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.71
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.71
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.71
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.71
AM44-(METHYLSULFONYL)BENZENECARBOXIMIDAMIDEA1TX80.75
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.75
271N-methyl-1-phenylmethanamineX2RBT0.72