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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02412505

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
RMAN-[(1S)-2,3-DIHYDRO-1H-INDEN-1-
YL]-N-METHYL-N-PROP-2-YNYLAMINE
A,B1S3B0.72
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.71
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.75
BFBN-[(1S)-1-(AMINOCARBONYL)-4-(ETHANIMIDOYLAMINO)BUTYL]BENZAMIDEA2DW50.72
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.77
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.77
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.77
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.77
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.77
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.77
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.77
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.77
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.77
271N-methyl-1-phenylmethanamineX2RBT0.82
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.71
BNFN-BENZYLFORMAMIDEA,B1U3U0.75
N5T(2S)-4-(2,5-DIFLUOROPHENYL)-N,N-
DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H-
PYRROLE-1-CARBOXAMIDE
A,B2FL60.73
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.85
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.85
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.85
D7PD-PHENYLALANYL-N~5~-[(2,2-DIHYDROXYHYDRAZINO)(IMINO)METHYL]-
D-ORNITHINAMIDE
A,B1RS70.7
D7PD-PHENYLALANYL-N~5~-[(2,2-DIHYDROXYHYDRAZINO)(IMINO)METHYL]-
D-ORNITHINAMIDE
A,B1RS90.7
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.74
PEA2-PHENYLETHYLAMINEA1TNJ0.74
PEA2-PHENYLETHYLAMINED,H2HKM0.74
PEA2-PHENYLETHYLAMINEA1UTO0.74
PEA2-PHENYLETHYLAMINEA,B1D6Y0.74
PEA2-PHENYLETHYLAMINEA,B1D6Z0.74
PEA2-PHENYLETHYLAMINEA,B1D6U0.74
PEA2-PHENYLETHYLAMINEA1UTM0.74
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.77
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.73
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.71
BENBENZAMIDINEA2TIO0.72
BENBENZAMIDINEA1J150.72
BENBENZAMIDINEA,B3BEU0.72
BENBENZAMIDINET1V2U0.72
BENBENZAMIDINEA,B,C,D,E,F3CF80.72
BENBENZAMIDINEA1S0R0.72
BENBENZAMIDINEA,B1V160.72
BENBENZAMIDINEA1CC70.72
BENBENZAMIDINEA3BG80.72
BENBENZAMIDINEA1CC80.72
BENBENZAMIDINEA3PTB0.72
BENBENZAMIDINEA,B1TRM0.72
BENBENZAMIDINEA1ZHR0.72
BENBENZAMIDINEA,B,C,D,E,F1NKZ0.72
BENBENZAMIDINEA2BLV0.72
BENBENZAMIDINEA,B,C,D,E,F2GLP0.72
BENBENZAMIDINEH,I3D490.72
BENBENZAMIDINEH,L,T2AER0.72
BENBENZAMIDINEA1J140.72
BENBENZAMIDINEA1NSA0.72
BENBENZAMIDINEA2AYW0.72
BENBENZAMIDINEA1BRA0.72
BENBENZAMIDINEA,B,C,D1A0J0.72
BENBENZAMIDINEB,C,D2AST0.72
BENBENZAMIDINEA,B2CKR0.72
BENBENZAMIDINEA1LPU0.72
BENBENZAMIDINEA1ZHM0.72
BENBENZAMIDINEA1J8A0.72
BENBENZAMIDINEA,B3BCX0.72
BENBENZAMIDINEA,B,C,D,E,F3CF90.72
BENBENZAMIDINEA,B,C,D,E,F3D040.72
BENBENZAMIDINEA,B,C,D,E,F2GLL0.72
BENBENZAMIDINEA1AND0.72
BENBENZAMIDINEA2TBS0.72
BENBENZAMIDINEA,B,C,D,E,F3DP20.72
BENBENZAMIDINET1V2M0.72
BENBENZAMIDINEA2EEK0.72
BENBENZAMIDINEH,I2ZI20.72
BENBENZAMIDINET1V2J0.72
BENBENZAMIDINEH1KLI0.72
BENBENZAMIDINEA1CE50.72
BENBENZAMIDINEA,B,C,D,E,F3B7J0.72
BENBENZAMIDINEB,Y2PKA0.72
BENBENZAMIDINEA2VJ00.72
BENBENZAMIDINEA3B3J0.72
BENBENZAMIDINEA,B,C,D,E,F3DOY0.72
BENBENZAMIDINEA,B,C,D,E,F3DP30.72
BENBENZAMIDINEA,B,C,D,E,F2GLM0.72
BENBENZAMIDINEA1ANB0.72
BENBENZAMIDINEA1LO60.72
BENBENZAMIDINEA1LR40.72
BENBENZAMIDINEA,B1V1M0.72
BENBENZAMIDINEA1ZHP0.72
BENBENZAMIDINEA2J9N0.72
BENBENZAMIDINEA2BMV0.72
BENBENZAMIDINEA,B2CKS0.72
BENBENZAMIDINEA2BLW0.72
BENBENZAMIDINEA1J160.72
BENBENZAMIDINEA,B1V110.72
BENBENZAMIDINEA,B,C,D,E,F3DP00.72
BENBENZAMIDINEB1RTF0.72
BENBENZAMIDINEA,B,C,D,E,F3DP10.72
BENBENZAMIDINEA,B,C,D2E580.72
BENBENZAMIDINEA2TRM0.72
BENBENZAMIDINET1V2V0.72
BENBENZAMIDINEA1MBQ0.72
BENBENZAMIDINEA,B,C,D,E,F3DOZ0.72
BENBENZAMIDINEA2O8U0.72
BENBENZAMIDINEH1DWB0.72
BENBENZAMIDINEB,C2ASS0.72
BENBENZAMIDINEA1ANE0.72
BENBENZAMIDINEH,I2ZIQ0.72
BENBENZAMIDINEA1BIT0.72
BENBENZAMIDINEA2AIQ0.72
BENBENZAMIDINEA2OQ50.72
BENBENZAMIDINEA1ANC0.72
BENBENZAMIDINEH1JBU0.72
BENBENZAMIDINEA,B2BPQ0.72
BENBENZAMIDINEA,B,C,D2GNN0.72
BENBENZAMIDINET1V2S0.72
BENBENZAMIDINEA1H4W0.72
BENBENZAMIDINEA1OSS0.72
BENBENZAMIDINEA1W800.72
BENBENZAMIDINEA1BTY0.72
BENBENZAMIDINEH,I2ZFQ0.72
BENBENZAMIDINEA1EAX0.72
BENBENZAMIDINEA1L2E0.72
BENBENZAMIDINEA1WRI0.72
BENBENZAMIDINEA,B3BB80.72
BENBENZAMIDINEA2OXS0.72
BENBENZAMIDINEA1DPO0.72
BENBENZAMIDINET1V2L0.72
BZZBENZYLHYDRAZINEA,B2E2V0.7
N2T(2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-
2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-
1H-PYRROLE-1-CARBOXAMIDE
A,B2FKY0.75
DP7AC-(D)PHE-PRO-BOROARG-OHH1LHC0.72
412(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL)PHENETHYL)GUANIDINE
A1ZML0.75
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.71
HDB(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL)BENZYL)GUANIDINE
A1ZMJ0.77
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.74
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.74
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.73
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.71
FBA4-FLUOROBENZYLAMINEA1TNH0.71
ABNBENZYLAMINED,H2HXC0.74
ABNBENZYLAMINEA,I1A860.74
ABNBENZYLAMINEA1UTN0.74
ABNBENZYLAMINEA1N6X0.74
ABNBENZYLAMINEA2BZA0.74
ABNBENZYLAMINEA2EUS0.74
ABNBENZYLAMINEA1N6Y0.74
ABNBENZYLAMINEA1UTJ0.74
BAGN-[(E)-2-AMINO-1-(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)-
2-HYDROXYVINYL]BENZAMIDE
A1WDA0.73
BAMBENZAMIDINEU1F5K0.72
BAMBENZAMIDINEX2BY80.72
BAMBENZAMIDINEB2PSM0.72
BAMBENZAMIDINEX2BY90.72
BAMBENZAMIDINEA1C1N0.72
BAMBENZAMIDINEX2BY60.72
BAMBENZAMIDINEH,I1C5O0.72
BAMBENZAMIDINEA1XX40.72
BAMBENZAMIDINEA1HJ80.72
BAMBENZAMIDINEA1C5P0.72
BAMBENZAMIDINEB1C5Z0.72
BAMBENZAMIDINEA,B1ZVW0.72
BAMBENZAMIDINEA2ANW0.72
BAMBENZAMIDINEA2ANY0.72
BAMBENZAMIDINEX2BYA0.72
BAMBENZAMIDINEA1TIO0.72
BAMBENZAMIDINEX2BY50.72
BAMBENZAMIDINEX2BY70.72
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.74
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.74
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.71
24U1-butanoyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZI20.7
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.81
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.76
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.76
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.8
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.8
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.8
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.71
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.71
B2FPHENYLALANINE BORONIC ACIDA,P1P060.71
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.71
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.71
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.71
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.72
FA4SM-25453A,B2D1O0.74
FA4SM-25453A,B2D1N0.74
2631-(azidomethyl)-3-methylbenzeneX2RB20.71
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.7
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.71
A21(5S)-2-{[(1S)-1-(2-fluorophenyl)ethyl]amino}-
5-methyl-5-(trifluoromethyl)-1,3-
thiazol-4(5H)-one
A,B,C,D3BZU0.73
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.71
PRA3-PHENYLPROPYLAMINEA1TNK0.73
PRA3-PHENYLPROPYLAMINEM1UTL0.73
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.77
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.77
PBN4-PHENYLBUTYLAMINEA1TNI0.73
PBN4-PHENYLBUTYLAMINEA1UTP0.73
CPUA,B1CR60.79
DPKDEPRENYLA,B2BYB0.77
29U1-[(2R)-2-aminobutanoyl]-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZGX0.7
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.71
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.72
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.77
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.77