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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02815721

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DENINDENEA183L0.73
NTSNAPHTHALENE TRISULFONATEA1RML0.7
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.79
FNP{[7-(DIFLUORO-PHOSPHONO-METHYL)-
NAPHTHALEN-2-YL]-DIFLUORO-METHYL}-
PHOSPHONIC ACID
A1KAK0.88
I4BISOBUTYLBENZENEA184L0.72
B28A,B2E9A0.74
B70tripotassium (1R)-4-biphenyl-4-
yl-1-phosphonatobutane-1-sulfonate
A2ZCS0.75
FPRPROPYLBENZENEC1RHK0.74
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1DPM0.75
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6B0.75
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1PSC0.75
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B3E3H0.75
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1QW70.75
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6C0.75
2HSHEXYLPHOSPHONIC ACID (S)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS20.72
2HRHEXYLPHOSPHONIC ACID (R)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS10.72
FEP[(4-{4-[4-(DIFLUORO-PHOSPHONO-METHYL)-
PHENYL]-BUTYL}-PHENYL)-DIFLUORO-
METHYL]-PHOSPHONIC ACID
A1KAV0.79
AN3ANTHRACENEA,B2HMN0.81
AN3ANTHRACENEA,B2HMM0.81
B08A,B2E990.74
PEYPHENANTHRENEA,B2HML0.81
PEYPHENANTHRENEA,B2HMK0.81
BPSA,B2DE40.71
I59HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACIDA1O4G0.76
NAS2-NAPHTHALENESULFONIC ACIDI1QUR0.76
NAS2-NAPHTHALENESULFONIC ACIDE,I1PPC0.76
NAS2-NAPHTHALENESULFONIC ACIDH1ETS0.76
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.74
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.74
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.74
MBNTOLUENEA,B3D7O0.71
MBNTOLUENEA,B1R1X0.71
MBNTOLUENEA,B1JLX0.71
MBNTOLUENEA,B,C,D3D170.71
MBNTOLUENEA,B2VRL0.71
MBNTOLUENEA,I2Z3E0.71
MBNTOLUENEA,B1YZI0.71
MBNTOLUENEA,B2DN10.71
MBNTOLUENEA,B3EN10.71
PXYPARA-XYLENEA187L0.71
PXYPARA-XYLENEA225L0.71
N4BN-BUTYLBENZENEA186L0.74
BDBA,B1KE30.82
PYLPHENYLETHANEC1B070.74
PYLPHENYLETHANEA,B2VRM0.74
PYLPHENYLETHANEA1NHB0.74
B69A2ZCR0.74
KTP(2-NAPHTHALEN-2-YL-1-NAPHTHALEN-
1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID
A,B1KYN0.72
787(PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC ACIDA1O4R0.81
OXEORTHO-XYLENEA,B3E0X0.76
OXEORTHO-XYLENEA188L0.76
BIHNAPHTHALENE-2,6-DISULFONIC ACIDA1U4S0.74
NPYNAPHTHALENEA,B1O7G0.87
PMI(2-AMINO-2,3-DIHYDRO-1H-INDEN-2-
YL)PHOSPHONIC ACID
A,B,C,D,E,F,
G,H
2O7E0.75
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.77