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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01398750

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.7
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.7
AL5THIOPHENE-2,5-DISULFONIC ACID 2-
AMIDE-5-(4-METHYL-BENZYLAMIDE)
A1BN10.71
NDT2-(TOLUENE-4-SULFONYL)-2H-BENZO[D][1,2,3]DIAZABORININ-
1-OL
A,B1DFG0.7
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.71
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.71
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2OUA0.8
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B,C,D2AJC0.8
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B3PRO0.8
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2PFE0.8
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.72
PEA2-PHENYLETHYLAMINEA1TNJ0.72
PEA2-PHENYLETHYLAMINED,H2HKM0.72
PEA2-PHENYLETHYLAMINEA1UTO0.72
PEA2-PHENYLETHYLAMINEA,B1D6Y0.72
PEA2-PHENYLETHYLAMINEA,B1D6Z0.72
PEA2-PHENYLETHYLAMINEA,B1D6U0.72
PEA2-PHENYLETHYLAMINEA1UTM0.72
FBT2,6-DIFLUOROBENZENESULFONAMIDEA1IF50.74
WW7N-(6-AMINOHEXYL)-5-CHLORO-1-NAPHTHALENESULFONAMIDEA1MUX0.7
BHYN,N'-[biphenyl-4,4'-diyldi(2R)propane-
2,1-diyl]dimethanesulfonamide
A,B3BBR0.71
ZYX4-(2-AMINOETHYL)BENZENESULFONAMIDEA2NNG0.86
FBU3,5-DIFLUOROBENZENESULFONAMIDEA1IF60.74
HS7N-oxo-2-(phenylsulfonylamino)ethanamideA3F1A0.72
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
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D730.84
NBBN-BUTYL-BENZENESULFONAMIDEA3D770.84
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D780.84
NBBN-BUTYL-BENZENESULFONAMIDEA,B3CZ10.84
NBBN-BUTYL-BENZENESULFONAMIDEA3D750.84
NBBN-BUTYL-BENZENESULFONAMIDEA3D760.84
NBBN-BUTYL-BENZENESULFONAMIDEA3BJH0.84
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D740.84
F192-[(2-NAPHTHYLSULFONYL)AMINO]ETHYL DIHYDROGEN PHOSPHATEA,B2CLO0.71
F192-[(2-NAPHTHYLSULFONYL)AMINO]ETHYL DIHYDROGEN PHOSPHATEA,B2CLH0.71
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA,B2NMX0.77
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA2NNS0.77
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.86
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.86
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.86
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.86
HS4N-oxo-2-[(4-phenylphenyl)sulfonylamino]ethanamideA3F170.74
TOSP-SULFINOTOLUENEH1ETT0.73
TOSP-SULFINOTOLUENEI4PAD0.73
TOSP-SULFINOTOLUENEA1EST0.73
TOSP-SULFINOTOLUENEC,G2CHA0.73
TOSP-SULFINOTOLUENEE1PPH0.73
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.71
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.71
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.71
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.71
HS62-[(4-fluorophenyl)sulfonylamino]-
N-oxo-ethanamide
A3F190.72
FTS(3R)-3-(FLUOROMETHYL)-N-(3,3,3-
TRIFLUOROPROPYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-
7-SULFONAMIDE
A,B2G710.72
SKF1,2,3,4-TETRAHYDRO-ISOQUINOLINE-
7-SULFONIC ACID AMIDE
A,B1HNN0.71
MAJindane-5-sulfonamideA2QOA0.76
TSUPARA-TOLUENE SULFONATEA,B1WUW0.74
TSUPARA-TOLUENE SULFONATEA1B0D0.74
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOJ0.71
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOL0.71
PRA3-PHENYLPROPYLAMINEA1TNK0.73
PRA3-PHENYLPROPYLAMINEM1UTL0.73
PBN4-PHENYLBUTYLAMINEA1TNI0.73
PBN4-PHENYLBUTYLAMINEA1UTP0.73
TCKN-[(1S)-5-amino-1-(chloroacetyl)pentyl]-
4-methylbenzenesulfonamide
A1ARC0.72
BPSA,B2DE40.7
FBS4-FLOUROBENZENESULFONAMIDEA1IF40.74