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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02649584

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2631-(azidomethyl)-3-methylbenzeneX2RB20.75
DMX3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-
1-SULFONATE
A,B,C,D1TP70.7
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.7
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.84
DPKDEPRENYLA,B2BYB0.83
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.73
PEA2-PHENYLETHYLAMINEA1TNJ0.73
PEA2-PHENYLETHYLAMINED,H2HKM0.73
PEA2-PHENYLETHYLAMINEA1UTO0.73
PEA2-PHENYLETHYLAMINEA,B1D6Y0.73
PEA2-PHENYLETHYLAMINEA,B1D6Z0.73
PEA2-PHENYLETHYLAMINEA,B1D6U0.73
PEA2-PHENYLETHYLAMINEA1UTM0.73
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.72
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.72
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA2AI70.72
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA,B,C2AI80.72
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.82
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.72
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.71
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.94
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.71
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.71
FPRPROPYLBENZENEC1RHK0.7
BHYN,N'-[biphenyl-4,4'-diyldi(2R)propane-
2,1-diyl]dimethanesulfonamide
A,B3BBR0.71
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
RMAN-[(1S)-2,3-DIHYDRO-1H-INDEN-1-
YL]-N-METHYL-N-PROP-2-YNYLAMINE
A,B1S3B0.73
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.72
I4BISOBUTYLBENZENEA184L0.73
DP4TRANS-2-(DIMETHYLPHENYLSILYL)-PIPERIDINE-
N-OXIDE
A,B,C,D,E,F,
G,H
1ND00.77
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.73
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.73
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2P1C0.72
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2Z7H0.72
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.76
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.76
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.73
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
271N-methyl-1-phenylmethanamineX2RBT0.73
CPUA,B1CR60.71
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.8
OXEORTHO-XYLENEA,B3E0X0.71
OXEORTHO-XYLENEA188L0.71
JNH1-[2-(S)-AMINO-3-BIPHENYL-4-YL-
PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE
I,J2AJL0.7
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.75
44Ubeta-phenyl-D-phenylalanyl-N-propyl-
L-prolinamide
B,D3DA90.7
PYLPHENYLETHANEC1B070.7
PYLPHENYLETHANEA,B2VRM0.7
PYLPHENYLETHANEA1NHB0.7
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.74
N4BN-BUTYLBENZENEA186L0.7
PRA3-PHENYLPROPYLAMINEA1TNK0.74
PRA3-PHENYLPROPYLAMINEM1UTL0.74
PBN4-PHENYLBUTYLAMINEA1TNI0.74
PBN4-PHENYLBUTYLAMINEA1UTP0.74