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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02318814

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.7
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.7
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.73
CRP((1RS,3SR)-2,2-DICHLORO-N-[(R)-
1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-
3-METHYLCYCLOPROPANECARBOXAMIDE
A2STD0.72
CRP((1RS,3SR)-2,2-DICHLORO-N-[(R)-
1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-
3-METHYLCYCLOPROPANECARBOXAMIDE
A,B,C7STD0.72
LY18,9-DICHLORO-2,3,4,5-TETRAHYDRO-
1H-BENZO[C]AZEPINE
A,B1N7I0.79
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.71
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.72
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.7
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.7
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.7
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.7
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.7
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.7
IDMINDOLINEA,B3CEP0.71
IDMINDOLINEA1AEK0.71
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.7
ABNBENZYLAMINED,H2HXC0.71
ABNBENZYLAMINEA,I1A860.71
ABNBENZYLAMINEA1UTN0.71
ABNBENZYLAMINEA1N6X0.71
ABNBENZYLAMINEA2BZA0.71
ABNBENZYLAMINEA2EUS0.71
ABNBENZYLAMINEA1N6Y0.71
ABNBENZYLAMINEA1UTJ0.71
BNFN-BENZYLFORMAMIDEA,B1U3U0.72
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.73
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.73
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.73
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.73
SKA7,8-DICHLORO-1,2,3,4-TETRAHYDROISOQUINOLINEA,B1YZ30.77
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.87
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.87
GVQ(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINEA2UW80.7
SRE(1S,4S)-4-(3,4-dichlorophenyl)-
N-methyl-1,2,3,4-tetrahydronaphthalen-
1-amine
A3GWU0.74
PRA3-PHENYLPROPYLAMINEA1TNK0.7
PRA3-PHENYLPROPYLAMINEM1UTL0.7
PBN4-PHENYLBUTYLAMINEA1TNI0.7
PBN4-PHENYLBUTYLAMINEA1UTP0.7
PCSPHENYLALANYLMETHYLCHLORIDEB,D1DLK0.71
PCSPHENYLALANYLMETHYLCHLORIDEA1XQX0.71
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.73
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.73
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.88
C2B1-(4-CHLOROPHENYL)METHANAMINED,H2Q7Q0.73
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.87
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.87
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.87
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.87
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.87
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.72
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.7
271N-methyl-1-phenylmethanamineX2RBT0.77
C2A1-(3-CHLOROPHENYL)METHANAMINEB,I2C8Z0.73
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.7
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.7
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
DPKDEPRENYLA,B2BYB0.72
RMAN-[(1S)-2,3-DIHYDRO-1H-INDEN-1-
YL]-N-METHYL-N-PROP-2-YNYLAMINE
A,B1S3B0.8
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.76
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.76
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.76
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.76