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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00453887

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
GVQ(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINEA2UW80.74
CPUA,B1CR60.75
PBN4-PHENYLBUTYLAMINEA1TNI0.81
PBN4-PHENYLBUTYLAMINEA1UTP0.81
PRA3-PHENYLPROPYLAMINEA1TNK0.81
PRA3-PHENYLPROPYLAMINEM1UTL0.81
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.76
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.7
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
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.78
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.78
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.76
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.7
COR2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANEA9HVP0.7
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.73
FBA4-FLUOROBENZYLAMINEA1TNH0.73
MFG(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-
1-IMINE
A,B2VZ20.77
ABNBENZYLAMINED,H2HXC0.76
ABNBENZYLAMINEA,I1A860.76
ABNBENZYLAMINEA1UTN0.76
ABNBENZYLAMINEA1N6X0.76
ABNBENZYLAMINEA2BZA0.76
ABNBENZYLAMINEA2EUS0.76
ABNBENZYLAMINEA1N6Y0.76
ABNBENZYLAMINEA1UTJ0.76
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.79
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.79
271N-methyl-1-phenylmethanamineX2RBT0.76
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.71
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.76
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.74
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.74
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.72
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.72
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.72
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.72
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.79
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.79
B2FPHENYLALANINE BORONIC ACIDA,P1P060.79
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.79
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.79
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.79
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.79
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.79
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.79
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.82
PEA2-PHENYLETHYLAMINEA1TNJ0.82
PEA2-PHENYLETHYLAMINED,H2HKM0.82
PEA2-PHENYLETHYLAMINEA1UTO0.82
PEA2-PHENYLETHYLAMINEA,B1D6Y0.82
PEA2-PHENYLETHYLAMINEA,B1D6Z0.82
PEA2-PHENYLETHYLAMINEA,B1D6U0.82
PEA2-PHENYLETHYLAMINEA1UTM0.82
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.73
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.73
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.73
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.73
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.76
BHYN,N'-[biphenyl-4,4'-diyldi(2R)propane-
2,1-diyl]dimethanesulfonamide
A,B3BBR0.73
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.71
BNFN-BENZYLFORMAMIDEA,B1U3U0.71
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.7
DPKDEPRENYLA,B2BYB0.72
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.79
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.71
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.71
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.71
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.71