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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03026179

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2OUA0.71
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B,C,D2AJC0.71
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B3PRO0.71
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2PFE0.71
BPSA,B2DE40.9
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOJ0.84
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOL0.84
MAJindane-5-sulfonamideA2QOA0.74
B69A2ZCR0.82
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.71
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.76
BDBA,B1KE30.77
N4BN-BUTYLBENZENEA186L0.71
NPYNAPHTHALENEA,B1O7G0.7
BIHNAPHTHALENE-2,6-DISULFONIC ACIDA1U4S0.8
NAS2-NAPHTHALENESULFONIC ACIDI1QUR0.81
NAS2-NAPHTHALENESULFONIC ACIDE,I1PPC0.81
NAS2-NAPHTHALENESULFONIC ACIDH1ETS0.81
I4BISOBUTYLBENZENEA184L0.71
BNSHYDROSULFONYLBENZENE11YYY0.7
BNSHYDROSULFONYLBENZENEA1MEM0.7
BNSHYDROSULFONYLBENZENEA,D,E1FH00.7
BNSHYDROSULFONYLBENZENEA,B,C,D1PQ90.7
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.7
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.7
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.7
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.7
B70tripotassium (1R)-4-biphenyl-4-
yl-1-phosphonatobutane-1-sulfonate
A2ZCS0.8
OXEORTHO-XYLENEA,B3E0X0.71
OXEORTHO-XYLENEA188L0.71
NTSNAPHTHALENE TRISULFONATEA1RML0.8
BHYN,N'-[biphenyl-4,4'-diyldi(2R)propane-
2,1-diyl]dimethanesulfonamide
A,B3BBR0.72
FPRPROPYLBENZENEC1RHK0.71