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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03214140

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.76
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.72
4PIN-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINEA,B2NSD0.71
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
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.78
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.78
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.72
FBA4-FLUOROBENZYLAMINEA1TNH0.72
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.85
DMX3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-
1-SULFONATE
A,B,C,D1TP70.73
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.75
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.75
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
DPKDEPRENYLA,B2BYB0.87
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.94
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.78
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.74
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.74
B2FPHENYLALANINE BORONIC ACIDA,P1P060.74
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.74
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.74
I4BISOBUTYLBENZENEA184L0.74
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.77
PEA2-PHENYLETHYLAMINEA1TNJ0.77
PEA2-PHENYLETHYLAMINED,H2HKM0.77
PEA2-PHENYLETHYLAMINEA1UTO0.77
PEA2-PHENYLETHYLAMINEA,B1D6Y0.77
PEA2-PHENYLETHYLAMINEA,B1D6Z0.77
PEA2-PHENYLETHYLAMINEA,B1D6U0.77
PEA2-PHENYLETHYLAMINEA1UTM0.77
BNFN-BENZYLFORMAMIDEA,B1U3U0.72
FPRPROPYLBENZENEC1RHK0.72
OXEORTHO-XYLENEA,B3E0X0.72
OXEORTHO-XYLENEA188L0.72
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.73
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.78
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA2AI70.76
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA,B,C2AI80.76
PRA3-PHENYLPROPYLAMINEA1TNK0.78
PRA3-PHENYLPROPYLAMINEM1UTL0.78
PBN4-PHENYLBUTYLAMINEA1TNI0.78
PBN4-PHENYLBUTYLAMINEA1UTP0.78
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.75
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.75
ABNBENZYLAMINED,H2HXC0.75
ABNBENZYLAMINEA,I1A860.75
ABNBENZYLAMINEA1UTN0.75
ABNBENZYLAMINEA1N6X0.75
ABNBENZYLAMINEA2BZA0.75
ABNBENZYLAMINEA2EUS0.75
ABNBENZYLAMINEA1N6Y0.75
ABNBENZYLAMINEA1UTJ0.75
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.78
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.86
DP4TRANS-2-(DIMETHYLPHENYLSILYL)-PIPERIDINE-
N-OXIDE
A,B,C,D,E,F,
G,H
1ND00.78
RMAN-[(1S)-2,3-DIHYDRO-1H-INDEN-1-
YL]-N-METHYL-N-PROP-2-YNYLAMINE
A,B1S3B0.76
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.74
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.74
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.88
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.71
CPUA,B1CR60.71
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.77
2631-(azidomethyl)-3-methylbenzeneX2RB20.76
271N-methyl-1-phenylmethanamineX2RBT0.77
N4BN-BUTYLBENZENEA186L0.72
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.72
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.72
BDBA,B1KE30.71
PYLPHENYLETHANEC1B070.72
PYLPHENYLETHANEA,B2VRM0.72
PYLPHENYLETHANEA1NHB0.72
G27(3R,4R,5R)-5-(HYDROXYMETHYL)-1-
(3-PHENYLPROPYL)PIPERIDINE-3,4-
DIOL
A2G9R0.72
G27(3R,4R,5R)-5-(HYDROXYMETHYL)-1-
(3-PHENYLPROPYL)PIPERIDINE-3,4-
DIOL
A2G9U0.72
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2P1C0.73
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2Z7H0.73
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.7
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.72
GVQ(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINEA2UW80.71