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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03691673

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.83
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.74
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.85
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.8
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.8
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.77
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.77
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.71
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2P1C0.71
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2Z7H0.71
RMAN-[(1S)-2,3-DIHYDRO-1H-INDEN-1-
YL]-N-METHYL-N-PROP-2-YNYLAMINE
A,B1S3B0.86
DP4TRANS-2-(DIMETHYLPHENYLSILYL)-PIPERIDINE-
N-OXIDE
A,B,C,D,E,F,
G,H
1ND00.71
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.91
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.77
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.77
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.74
PRY2-PROPYL-ANILINEA1OWY0.72
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.74
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.74
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.74
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.79
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.79
CPUA,B1CR60.7
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.77
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.87
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.87
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA2AI70.73
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA,B,C2AI80.73
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.8
PYLPHENYLETHANEC1B070.71
PYLPHENYLETHANEA,B2VRM0.71
PYLPHENYLETHANEA1NHB0.71
BNFN-BENZYLFORMAMIDEA,B1U3U0.77
N4BN-BUTYLBENZENEA186L0.71
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.77
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.73
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.73
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.73
B2FPHENYLALANINE BORONIC ACIDA,P1P060.73
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.73
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.73
BZZBENZYLHYDRAZINEA,B2E2V0.72
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.76
FBA4-FLUOROBENZYLAMINEA1TNH0.76
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.73
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.74
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.79
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.79
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.79
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.79
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.79
12Q1-METHYLQUINOLIN-2(1H)-ONEA,B2F640.71
2631-(azidomethyl)-3-methylbenzeneX2RB20.8
PSSETHYLAMINOBENZYLMETHYLCARBONYL GROUPA1EAG0.71
MBH1-BENZYL-1-METHYL-1-(2-ACETYL)HYDRAZINIUM IONA1BMA0.76
271N-methyl-1-phenylmethanamineX2RBT0.85
DMX3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-
1-SULFONATE
A,B,C,D1TP70.79
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.74
N5T(2S)-4-(2,5-DIFLUOROPHENYL)-N,N-
DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H-
PYRROLE-1-CARBOXAMIDE
A,B2FL60.76
PRA3-PHENYLPROPYLAMINEA1TNK0.75
PRA3-PHENYLPROPYLAMINEM1UTL0.75
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.82
IDMINDOLINEA,B3CEP0.7
IDMINDOLINEA1AEK0.7
PBN4-PHENYLBUTYLAMINEA1TNI0.75
PBN4-PHENYLBUTYLAMINEA1UTP0.75
ABNBENZYLAMINED,H2HXC0.78
ABNBENZYLAMINEA,I1A860.78
ABNBENZYLAMINEA1UTN0.78
ABNBENZYLAMINEA1N6X0.78
ABNBENZYLAMINEA2BZA0.78
ABNBENZYLAMINEA2EUS0.78
ABNBENZYLAMINEA1N6Y0.78
ABNBENZYLAMINEA1UTJ0.78
FPRPROPYLBENZENEC1RHK0.71
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.81
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.81
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.81
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.76
PEA2-PHENYLETHYLAMINEA1TNJ0.76
PEA2-PHENYLETHYLAMINED,H2HKM0.76
PEA2-PHENYLETHYLAMINEA1UTO0.76
PEA2-PHENYLETHYLAMINEA,B1D6Y0.76
PEA2-PHENYLETHYLAMINEA,B1D6Z0.76
PEA2-PHENYLETHYLAMINEA,B1D6U0.76
PEA2-PHENYLETHYLAMINEA1UTM0.76
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.8
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.8
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.8
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.8
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.73
DPKDEPRENYLA,B2BYB0.91