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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00615525

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FPRPROPYLBENZENEC1RHK0.75
OXEORTHO-XYLENEA,B3E0X0.73
OXEORTHO-XYLENEA188L0.73
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.72
2HSHEXYLPHOSPHONIC ACID (S)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS20.77
MBNTOLUENEA,B3D7O0.72
MBNTOLUENEA,B1R1X0.72
MBNTOLUENEA,B1JLX0.72
MBNTOLUENEA,B,C,D3D170.72
MBNTOLUENEA,B2VRL0.72
MBNTOLUENEA,I2Z3E0.72
MBNTOLUENEA,B1YZI0.72
MBNTOLUENEA,B2DN10.72
MBNTOLUENEA,B3EN10.72
2HRHEXYLPHOSPHONIC ACID (R)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS10.77
4CM(4-CARBAMIMIDOYLPHENYL)-METHYL-
PHOSPHINIC ACID
A1TX70.71
B69A2ZCR0.71
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.71
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA2AI70.73
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA,B,C2AI80.73
PXYPARA-XYLENEA187L0.73
PXYPARA-XYLENEA225L0.73
BDBA,B1KE30.72
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2P1C0.82
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2Z7H0.82
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.81
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.81
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.81
B70tripotassium (1R)-4-biphenyl-4-
yl-1-phosphonatobutane-1-sulfonate
A2ZCS0.7
I4BISOBUTYLBENZENEA184L0.73
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
PRA3-PHENYLPROPYLAMINEA1TNK0.7
PRA3-PHENYLPROPYLAMINEM1UTL0.7
PBN4-PHENYLBUTYLAMINEA1TNI0.7
PBN4-PHENYLBUTYLAMINEA1UTP0.7
PYLPHENYLETHANEC1B070.75
PYLPHENYLETHANEA,B2VRM0.75
PYLPHENYLETHANEA1NHB0.75
FEP[(4-{4-[4-(DIFLUORO-PHOSPHONO-METHYL)-
PHENYL]-BUTYL}-PHENYL)-DIFLUORO-
METHYL]-PHOSPHONIC ACID
A1KAV0.74
N4BN-BUTYLBENZENEA186L0.75
DPKDEPRENYLA,B2BYB0.74
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.78
PMI(2-AMINO-2,3-DIHYDRO-1H-INDEN-2-
YL)PHOSPHONIC ACID
A,B,C,D,E,F,
G,H
2O7E0.74
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.76
787(PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC ACIDA1O4R0.82
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.7
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1DPM0.81
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6B0.81
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1PSC0.81
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B3E3H0.81
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1QW70.81
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6C0.81