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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00070907

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,B2OUA0.76
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B,C,D2AJC0.76
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B3PRO0.76
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2PFE0.76
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.79
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.79
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.79
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.79
YDP(3S,4S),-3,4-Bis-[(4-carbamoyl-
benzensulfonyl)-(3-methyl-but-2-
enyl)-amino]-pyrrolidine
A2ZGA0.71
YDP(3S,4S),-3,4-Bis-[(4-carbamoyl-
benzensulfonyl)-(3-methyl-but-2-
enyl)-amino]-pyrrolidine
A,B3CKT0.71
FTS(3R)-3-(FLUOROMETHYL)-N-(3,3,3-
TRIFLUOROPROPYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-
7-SULFONAMIDE
A,B2G710.8
CPUA,B1CR60.7
G0GN,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(N-
BENZYLBENZENESULFONAMIDE)
A,B2PQZ0.76
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA,B2NMX0.82
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA2NNS0.82
F21(3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN-
4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE
A,B2G720.76
F21(3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN-
4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE
A,B2OPB0.76
TP2N-[TOSYL-D-PROLINYL]AMINO-ETHANETHIOLA,B1F4D0.74
TP2N-[TOSYL-D-PROLINYL]AMINO-ETHANETHIOLA,B1F4C0.74
SAB4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDEA1OKM0.71
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.73
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.73
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D730.74
NBBN-BUTYL-BENZENESULFONAMIDEA3D770.74
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D780.74
NBBN-BUTYL-BENZENESULFONAMIDEA,B3CZ10.74
NBBN-BUTYL-BENZENESULFONAMIDEA3D750.74
NBBN-BUTYL-BENZENESULFONAMIDEA3D760.74
NBBN-BUTYL-BENZENESULFONAMIDEA3BJH0.74
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D740.74
ZYX4-(2-AMINOETHYL)BENZENESULFONAMIDEA2NNG0.83
TCKN-[(1S)-5-amino-1-(chloroacetyl)pentyl]-
4-methylbenzenesulfonamide
A1ARC0.73
QN2N,N'-(3S,4S)-pyrrolidine-3,4-diylbis[N-
(4-iodobenzyl)benzenesulfonamide]
A,B2QNP0.73
BHYN,N'-[biphenyl-4,4'-diyldi(2R)propane-
2,1-diyl]dimethanesulfonamide
A,B3BBR0.75
NFTN-(2-AMINOETHYL)-N~2~-{(1S)-1-[4'-
(AMINOSULFONYL)BIPHENYL-4-YL]-2,2,2-
TRIFLUOROETHYL}-L-LEUCINAMIDE
A1VSN0.73
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.73
3CCN-[(2R)-5-(aminosulfonyl)-2,3-dihydro-
1H-inden-2-yl]-2-propylpentanamide
A2QO80.77
F1HN-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamideA2ZJH0.7
34T(3R)-8-(dioxidosulfanyl)-3-methyl-
1,2,3,4-tetrahydroquinoline
H1ETR0.72
SKF1,2,3,4-TETRAHYDRO-ISOQUINOLINE-
7-SULFONIC ACID AMIDE
A,B1HNN0.81
MIUN-{(1S)-1-{[4-(3-AMINOPROPYL)PIPERAZIN-
1-YL]CARBONYL}-4-[(DIAMINOMETHYLENE)AMINO]BUTYL}-
3-(TRIFLUOROMETHYL)BENZENESULFONAMIDE
H1W7G0.72
WW7N-(6-AMINOHEXYL)-5-CHLORO-1-NAPHTHALENESULFONAMIDEA1MUX0.71
BDLN-(biphenyl-4-ylsulfonyl)-D-leucineA3EHX0.73
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.73
HS4N-oxo-2-[(4-phenylphenyl)sulfonylamino]ethanamideA3F170.72