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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02291346

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.73
BZZBENZYLHYDRAZINEA,B2E2V0.75
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.72
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.72
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.72
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.72
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.72
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.72
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.72
B2FPHENYLALANINE BORONIC ACIDA,P1P060.72
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.72
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.72
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.75
PEA2-PHENYLETHYLAMINEA1TNJ0.75
PEA2-PHENYLETHYLAMINED,H2HKM0.75
PEA2-PHENYLETHYLAMINEA1UTO0.75
PEA2-PHENYLETHYLAMINEA,B1D6Y0.75
PEA2-PHENYLETHYLAMINEA,B1D6Z0.75
PEA2-PHENYLETHYLAMINEA,B1D6U0.75
PEA2-PHENYLETHYLAMINEA1UTM0.75
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.74
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.75
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.75
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.75
CBTN,N-BIS(4-CHLOROBENZYL)-1H-1,2,3,4-
TETRAAZOL-5-AMINE
A1PZO0.72
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
DMX3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-
1-SULFONATE
A,B,C,D1TP70.73
RMAN-[(1S)-2,3-DIHYDRO-1H-INDEN-1-
YL]-N-METHYL-N-PROP-2-YNYLAMINE
A,B1S3B0.74
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.72
HDB(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL)BENZYL)GUANIDINE
A1ZMJ0.78
2631-(azidomethyl)-3-methylbenzeneX2RB20.78
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
BNFN-BENZYLFORMAMIDEA,B1U3U0.78
L134-AMINO-5-(2-METHYLPHENYL)-2,4-
DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE
A2HB90.7
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.84
MBH1-BENZYL-1-METHYL-1-(2-ACETYL)HYDRAZINIUM IONA1BMA0.75
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.72
412(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL)PHENETHYL)GUANIDINE
A1ZML0.73
N5T(2S)-4-(2,5-DIFLUOROPHENYL)-N,N-
DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H-
PYRROLE-1-CARBOXAMIDE
A,B2FL60.72
ABNBENZYLAMINED,H2HXC0.79
ABNBENZYLAMINEA,I1A860.79
ABNBENZYLAMINEA1UTN0.79
ABNBENZYLAMINEA1N6X0.79
ABNBENZYLAMINEA2BZA0.79
ABNBENZYLAMINEA2EUS0.79
ABNBENZYLAMINEA1N6Y0.79
ABNBENZYLAMINEA1UTJ0.79
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.76
FBA4-FLUOROBENZYLAMINEA1TNH0.76
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.78
C2A1-(3-CHLOROPHENYL)METHANAMINEB,I2C8Z0.7
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.75
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.7
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
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.71
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.71
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.71
271N-methyl-1-phenylmethanamineX2RBT0.85
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.76
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.74
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.74
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.71
CPUA,B1CR60.71
DPKDEPRENYLA,B2BYB0.78
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.8
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.8
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.87
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.87
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.87
PRA3-PHENYLPROPYLAMINEA1TNK0.73
PRA3-PHENYLPROPYLAMINEM1UTL0.73
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.72
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.72
PBN4-PHENYLBUTYLAMINEA1TNI0.73
PBN4-PHENYLBUTYLAMINEA1UTP0.73
C2B1-(4-CHLOROPHENYL)METHANAMINED,H2Q7Q0.7
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.77
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.77
4CM(4-CARBAMIMIDOYLPHENYL)-METHYL-
PHOSPHINIC ACID
A1TX70.73