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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02333084

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA2AI70.7
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA,B,C2AI80.7
APAAMIDO PHENYL PYRUVIC ACIDH,I1AHT0.7
APAAMIDO PHENYL PYRUVIC ACIDA,B,C,D1A0L0.7
APAAMIDO PHENYL PYRUVIC ACIDA1TPP0.7
BVATRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATEB,C2P8O0.7
BZZBENZYLHYDRAZINEA,B2E2V0.73
2631-(azidomethyl)-3-methylbenzeneX2RB20.73
CGQ3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-
HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-
IMINOMETHYL]-BENZAMIDINIUM
A,B,D,E2G0E0.72
CGQ3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-
HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-
IMINOMETHYL]-BENZAMIDINIUM
A,B1M6F0.72
BENBENZAMIDINEA2TIO0.91
BENBENZAMIDINEA1J150.91
BENBENZAMIDINEA,B3BEU0.91
BENBENZAMIDINET1V2U0.91
BENBENZAMIDINEA,B,C,D,E,F3CF80.91
BENBENZAMIDINEA1S0R0.91
BENBENZAMIDINEA,B1V160.91
BENBENZAMIDINEA1CC70.91
BENBENZAMIDINEA3BG80.91
BENBENZAMIDINEA1CC80.91
BENBENZAMIDINEA3PTB0.91
BENBENZAMIDINEA,B1TRM0.91
BENBENZAMIDINEA1ZHR0.91
BENBENZAMIDINEA,B,C,D,E,F1NKZ0.91
BENBENZAMIDINEA2BLV0.91
BENBENZAMIDINEA,B,C,D,E,F2GLP0.91
BENBENZAMIDINEH,I3D490.91
BENBENZAMIDINEH,L,T2AER0.91
BENBENZAMIDINEA1J140.91
BENBENZAMIDINEA1NSA0.91
BENBENZAMIDINEA2AYW0.91
BENBENZAMIDINEA1BRA0.91
BENBENZAMIDINEA,B,C,D1A0J0.91
BENBENZAMIDINEB,C,D2AST0.91
BENBENZAMIDINEA,B2CKR0.91
BENBENZAMIDINEA1LPU0.91
BENBENZAMIDINEA1ZHM0.91
BENBENZAMIDINEA1J8A0.91
BENBENZAMIDINEA,B3BCX0.91
BENBENZAMIDINEA,B,C,D,E,F3CF90.91
BENBENZAMIDINEA,B,C,D,E,F3D040.91
BENBENZAMIDINEA,B,C,D,E,F2GLL0.91
BENBENZAMIDINEA1AND0.91
BENBENZAMIDINEA2TBS0.91
BENBENZAMIDINEA,B,C,D,E,F3DP20.91
BENBENZAMIDINET1V2M0.91
BENBENZAMIDINEA2EEK0.91
BENBENZAMIDINEH,I2ZI20.91
BENBENZAMIDINET1V2J0.91
BENBENZAMIDINEH1KLI0.91
BENBENZAMIDINEA1CE50.91
BENBENZAMIDINEA,B,C,D,E,F3B7J0.91
BENBENZAMIDINEB,Y2PKA0.91
BENBENZAMIDINEA2VJ00.91
BENBENZAMIDINEA3B3J0.91
BENBENZAMIDINEA,B,C,D,E,F3DOY0.91
BENBENZAMIDINEA,B,C,D,E,F3DP30.91
BENBENZAMIDINEA,B,C,D,E,F2GLM0.91
BENBENZAMIDINEA1ANB0.91
BENBENZAMIDINEA1LO60.91
BENBENZAMIDINEA1LR40.91
BENBENZAMIDINEA,B1V1M0.91
BENBENZAMIDINEA1ZHP0.91
BENBENZAMIDINEA2J9N0.91
BENBENZAMIDINEA2BMV0.91
BENBENZAMIDINEA,B2CKS0.91
BENBENZAMIDINEA2BLW0.91
BENBENZAMIDINEA1J160.91
BENBENZAMIDINEA,B1V110.91
BENBENZAMIDINEA,B,C,D,E,F3DP00.91
BENBENZAMIDINEB1RTF0.91
BENBENZAMIDINEA,B,C,D,E,F3DP10.91
BENBENZAMIDINEA,B,C,D2E580.91
BENBENZAMIDINEA2TRM0.91
BENBENZAMIDINET1V2V0.91
BENBENZAMIDINEA1MBQ0.91
BENBENZAMIDINEA,B,C,D,E,F3DOZ0.91
BENBENZAMIDINEA2O8U0.91
BENBENZAMIDINEH1DWB0.91
BENBENZAMIDINEB,C2ASS0.91
BENBENZAMIDINEA1ANE0.91
BENBENZAMIDINEH,I2ZIQ0.91
BENBENZAMIDINEA1BIT0.91
BENBENZAMIDINEA2AIQ0.91
BENBENZAMIDINEA2OQ50.91
BENBENZAMIDINEA1ANC0.91
BENBENZAMIDINEH1JBU0.91
BENBENZAMIDINEA,B2BPQ0.91
BENBENZAMIDINEA,B,C,D2GNN0.91
BENBENZAMIDINET1V2S0.91
BENBENZAMIDINEA1H4W0.91
BENBENZAMIDINEA1OSS0.91
BENBENZAMIDINEA1W800.91
BENBENZAMIDINEA1BTY0.91
BENBENZAMIDINEH,I2ZFQ0.91
BENBENZAMIDINEA1EAX0.91
BENBENZAMIDINEA1L2E0.91
BENBENZAMIDINEA1WRI0.91
BENBENZAMIDINEA,B3BB80.91
BENBENZAMIDINEA2OXS0.91
BENBENZAMIDINEA1DPO0.91
BENBENZAMIDINET1V2L0.91
SBZ[4-(1,3,2-DIOXABOROLAN-2-YLOXY)METHYL]BENZAMIDINEA1S850.74
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.75
FBA4-FLUOROBENZYLAMINEA1TNH0.75
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.7
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
4BZ4-(HYDROXYMETHYL)BENZAMIDINEA1S6H0.74
BHOBENZHYDROXAMIC ACIDA,B1GX20.72
BHOBENZHYDROXAMIC ACIDA1HSR0.72
BHOBENZHYDROXAMIC ACIDA,B2ATJ0.72
BHOBENZHYDROXAMIC ACIDA,B4ATJ0.72
BHOBENZHYDROXAMIC ACIDA,B3ATJ0.72
BHOBENZHYDROXAMIC ACIDA3GCK0.72
BHOBENZHYDROXAMIC ACIDA,B,C,D,E,F,
G,H
2BOY0.72
271N-methyl-1-phenylmethanamineX2RBT0.71
AM44-(METHYLSULFONYL)BENZENECARBOXIMIDAMIDEA1TX80.76
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.72
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.72
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.72
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.76
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.76
PBZP-AMINO BENZAMIDINEA,B2BDG0.79
PBZP-AMINO BENZAMIDINEA1RFN0.79
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.79
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.79
PBZP-AMINO BENZAMIDINEA1FIZ0.79
PBZP-AMINO BENZAMIDINEA1FIW0.79
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.79
BBA2,7-BIS-(4-AMIDINOBENZYLIDENE)-
CYCLOHEPTAN-1-ONE
A,B1A5H0.71
BBA2,7-BIS-(4-AMIDINOBENZYLIDENE)-
CYCLOHEPTAN-1-ONE
T1V2N0.71
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.71
PNZP-NITRO-BENZYLAMINEA,B2C700.71
BRNBERENILA,B268D0.7
BRNBERENILA,B1D630.7
BRNBERENILA,D,E2GBY0.7
BRNBERENILA2DBE0.7
BRNBERENILA2GVR0.7
BAMBENZAMIDINEU1F5K0.91
BAMBENZAMIDINEX2BY80.91
BAMBENZAMIDINEB2PSM0.91
BAMBENZAMIDINEX2BY90.91
BAMBENZAMIDINEA1C1N0.91
BAMBENZAMIDINEX2BY60.91
BAMBENZAMIDINEH,I1C5O0.91
BAMBENZAMIDINEA1XX40.91
BAMBENZAMIDINEA1HJ80.91
BAMBENZAMIDINEA1C5P0.91
BAMBENZAMIDINEB1C5Z0.91
BAMBENZAMIDINEA,B1ZVW0.91
BAMBENZAMIDINEA2ANW0.91
BAMBENZAMIDINEA2ANY0.91
BAMBENZAMIDINEX2BYA0.91
BAMBENZAMIDINEA1TIO0.91
BAMBENZAMIDINEX2BY50.91
BAMBENZAMIDINEX2BY70.91
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.73
ABNBENZYLAMINED,H2HXC0.78
ABNBENZYLAMINEA,I1A860.78
ABNBENZYLAMINEA1UTN0.78
ABNBENZYLAMINEA1N6X0.78
ABNBENZYLAMINEA2BZA0.78
ABNBENZYLAMINEA2EUS0.78
ABNBENZYLAMINEA1N6Y0.78
ABNBENZYLAMINEA1UTJ0.78
4CM(4-CARBAMIMIDOYLPHENYL)-METHYL-
PHOSPHINIC ACID
A1TX70.85
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.71
PEA2-PHENYLETHYLAMINEA1TNJ0.71
PEA2-PHENYLETHYLAMINED,H2HKM0.71
PEA2-PHENYLETHYLAMINEA1UTO0.71
PEA2-PHENYLETHYLAMINEA,B1D6Y0.71
PEA2-PHENYLETHYLAMINEA,B1D6Z0.71
PEA2-PHENYLETHYLAMINEA,B1D6U0.71
PEA2-PHENYLETHYLAMINEA1UTM0.71
745TRANS-6-(2-PHENYLCYCLOPROPYL)-NAPHTHALENE-
2-CARBOXAMIDINE
A1U6Q0.71