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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01771445

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.76
CBTN,N-BIS(4-CHLOROBENZYL)-1H-1,2,3,4-
TETRAAZOL-5-AMINE
A1PZO0.7
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.78
FBA4-FLUOROBENZYLAMINEA1TNH0.78
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.75
PBN4-PHENYLBUTYLAMINEA1TNI0.76
PBN4-PHENYLBUTYLAMINEA1UTP0.76
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.72
PRA3-PHENYLPROPYLAMINEA1TNK0.76
PRA3-PHENYLPROPYLAMINEM1UTL0.76
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.89
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.89
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.89
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.78
4CM(4-CARBAMIMIDOYLPHENYL)-METHYL-
PHOSPHINIC ACID
A1TX70.71
CPUA,B1CR60.74
BAMBENZAMIDINEU1F5K0.79
BAMBENZAMIDINEX2BY80.79
BAMBENZAMIDINEB2PSM0.79
BAMBENZAMIDINEX2BY90.79
BAMBENZAMIDINEA1C1N0.79
BAMBENZAMIDINEX2BY60.79
BAMBENZAMIDINEH,I1C5O0.79
BAMBENZAMIDINEA1XX40.79
BAMBENZAMIDINEA1HJ80.79
BAMBENZAMIDINEA1C5P0.79
BAMBENZAMIDINEB1C5Z0.79
BAMBENZAMIDINEA,B1ZVW0.79
BAMBENZAMIDINEA2ANW0.79
BAMBENZAMIDINEA2ANY0.79
BAMBENZAMIDINEX2BYA0.79
BAMBENZAMIDINEA1TIO0.79
BAMBENZAMIDINEX2BY50.79
BAMBENZAMIDINEX2BY70.79
ABNBENZYLAMINED,H2HXC0.81
ABNBENZYLAMINEA,I1A860.81
ABNBENZYLAMINEA1UTN0.81
ABNBENZYLAMINEA1N6X0.81
ABNBENZYLAMINEA2BZA0.81
ABNBENZYLAMINEA2EUS0.81
ABNBENZYLAMINEA1N6Y0.81
ABNBENZYLAMINEA1UTJ0.81
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.77
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.77
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.77
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.74
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.74
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.74
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.74
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.74
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.74
B2FPHENYLALANINE BORONIC ACIDA,P1P060.74
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.74
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.74
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.77
PEA2-PHENYLETHYLAMINEA1TNJ0.77
PEA2-PHENYLETHYLAMINED,H2HKM0.77
PEA2-PHENYLETHYLAMINEA1UTO0.77
PEA2-PHENYLETHYLAMINEA,B1D6Y0.77
PEA2-PHENYLETHYLAMINEA,B1D6Z0.77
PEA2-PHENYLETHYLAMINEA,B1D6U0.77
PEA2-PHENYLETHYLAMINEA1UTM0.77
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.79
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.75
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.76
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.76
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.71
271N-methyl-1-phenylmethanamineX2RBT0.88
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.71
BZZBENZYLHYDRAZINEA,B2E2V0.77
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.72
A21(5S)-2-{[(1S)-1-(2-fluorophenyl)ethyl]amino}-
5-methyl-5-(trifluoromethyl)-1,3-
thiazol-4(5H)-one
A,B,C,D3BZU0.7
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.73
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.73
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.73
MBH1-BENZYL-1-METHYL-1-(2-ACETYL)HYDRAZINIUM IONA1BMA0.71
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.72
BENBENZAMIDINEA2TIO0.79
BENBENZAMIDINEA1J150.79
BENBENZAMIDINEA,B3BEU0.79
BENBENZAMIDINET1V2U0.79
BENBENZAMIDINEA,B,C,D,E,F3CF80.79
BENBENZAMIDINEA1S0R0.79
BENBENZAMIDINEA,B1V160.79
BENBENZAMIDINEA1CC70.79
BENBENZAMIDINEA3BG80.79
BENBENZAMIDINEA1CC80.79
BENBENZAMIDINEA3PTB0.79
BENBENZAMIDINEA,B1TRM0.79
BENBENZAMIDINEA1ZHR0.79
BENBENZAMIDINEA,B,C,D,E,F1NKZ0.79
BENBENZAMIDINEA2BLV0.79
BENBENZAMIDINEA,B,C,D,E,F2GLP0.79
BENBENZAMIDINEH,I3D490.79
BENBENZAMIDINEH,L,T2AER0.79
BENBENZAMIDINEA1J140.79
BENBENZAMIDINEA1NSA0.79
BENBENZAMIDINEA2AYW0.79
BENBENZAMIDINEA1BRA0.79
BENBENZAMIDINEA,B,C,D1A0J0.79
BENBENZAMIDINEB,C,D2AST0.79
BENBENZAMIDINEA,B2CKR0.79
BENBENZAMIDINEA1LPU0.79
BENBENZAMIDINEA1ZHM0.79
BENBENZAMIDINEA1J8A0.79
BENBENZAMIDINEA,B3BCX0.79
BENBENZAMIDINEA,B,C,D,E,F3CF90.79
BENBENZAMIDINEA,B,C,D,E,F3D040.79
BENBENZAMIDINEA,B,C,D,E,F2GLL0.79
BENBENZAMIDINEA1AND0.79
BENBENZAMIDINEA2TBS0.79
BENBENZAMIDINEA,B,C,D,E,F3DP20.79
BENBENZAMIDINET1V2M0.79
BENBENZAMIDINEA2EEK0.79
BENBENZAMIDINEH,I2ZI20.79
BENBENZAMIDINET1V2J0.79
BENBENZAMIDINEH1KLI0.79
BENBENZAMIDINEA1CE50.79
BENBENZAMIDINEA,B,C,D,E,F3B7J0.79
BENBENZAMIDINEB,Y2PKA0.79
BENBENZAMIDINEA2VJ00.79
BENBENZAMIDINEA3B3J0.79
BENBENZAMIDINEA,B,C,D,E,F3DOY0.79
BENBENZAMIDINEA,B,C,D,E,F3DP30.79
BENBENZAMIDINEA,B,C,D,E,F2GLM0.79
BENBENZAMIDINEA1ANB0.79
BENBENZAMIDINEA1LO60.79
BENBENZAMIDINEA1LR40.79
BENBENZAMIDINEA,B1V1M0.79
BENBENZAMIDINEA1ZHP0.79
BENBENZAMIDINEA2J9N0.79
BENBENZAMIDINEA2BMV0.79
BENBENZAMIDINEA,B2CKS0.79
BENBENZAMIDINEA2BLW0.79
BENBENZAMIDINEA1J160.79
BENBENZAMIDINEA,B1V110.79
BENBENZAMIDINEA,B,C,D,E,F3DP00.79
BENBENZAMIDINEB1RTF0.79
BENBENZAMIDINEA,B,C,D,E,F3DP10.79
BENBENZAMIDINEA,B,C,D2E580.79
BENBENZAMIDINEA2TRM0.79
BENBENZAMIDINET1V2V0.79
BENBENZAMIDINEA1MBQ0.79
BENBENZAMIDINEA,B,C,D,E,F3DOZ0.79
BENBENZAMIDINEA2O8U0.79
BENBENZAMIDINEH1DWB0.79
BENBENZAMIDINEB,C2ASS0.79
BENBENZAMIDINEA1ANE0.79
BENBENZAMIDINEH,I2ZIQ0.79
BENBENZAMIDINEA1BIT0.79
BENBENZAMIDINEA2AIQ0.79
BENBENZAMIDINEA2OQ50.79
BENBENZAMIDINEA1ANC0.79
BENBENZAMIDINEH1JBU0.79
BENBENZAMIDINEA,B2BPQ0.79
BENBENZAMIDINEA,B,C,D2GNN0.79
BENBENZAMIDINET1V2S0.79
BENBENZAMIDINEA1H4W0.79
BENBENZAMIDINEA1OSS0.79
BENBENZAMIDINEA1W800.79
BENBENZAMIDINEA1BTY0.79
BENBENZAMIDINEH,I2ZFQ0.79
BENBENZAMIDINEA1EAX0.79
BENBENZAMIDINEA1L2E0.79
BENBENZAMIDINEA1WRI0.79
BENBENZAMIDINEA,B3BB80.79
BENBENZAMIDINEA2OXS0.79
BENBENZAMIDINEA1DPO0.79
BENBENZAMIDINET1V2L0.79
BNFN-BENZYLFORMAMIDEA,B1U3U0.82
DPKDEPRENYLA,B2BYB0.74
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.71
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.71
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.76
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.76
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.76
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.76
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.76
412(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL)PHENETHYL)GUANIDINE
A1ZML0.76
HDB(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL)BENZYL)GUANIDINE
A1ZMJ0.82
C2A1-(3-CHLOROPHENYL)METHANAMINEB,I2C8Z0.72
RMAN-[(1S)-2,3-DIHYDRO-1H-INDEN-1-
YL]-N-METHYL-N-PROP-2-YNYLAMINE
A,B1S3B0.71
FA4SM-25453A,B2D1O0.7
FA4SM-25453A,B2D1N0.7
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.74
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.74
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.76
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.8
BAGN-[(E)-2-AMINO-1-(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)-
2-HYDROXYVINYL]BENZAMIDE
A1WDA0.72
2631-(azidomethyl)-3-methylbenzeneX2RB20.76
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.71
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.76
PL01-phenylguanidineA2O8W0.72
C2B1-(4-CHLOROPHENYL)METHANAMINED,H2Q7Q0.72
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.74
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.76
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.82
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.82