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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01528444

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PPNPARA-NITROPHENYLALANINEI1YTJ0.71
CCT5-(4-CYANOPHENYL)-3-{[(2-METHYLPHENYL)SULFONYL]AMINO}THIOPHENE-
2-CARBOXYLIC ACID
A,B2D3U0.77
8785-IODO-2-(OXALYL-AMINO)-BENZOIC ACIDA1ECV0.71
F773-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}-
2-METHYLBENZOIC ACID
A2EA20.84
HABA,B1SRE0.75
MTBA,B1SRF0.7
A752-[(PHENYLSULFONYL)AMINO]-5,6,7,8-
TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID
A1YW80.84
BE22-AMINOBENZOIC ACIDA,B,C,D,E,F,
G,H
1F8S0.79
BE22-AMINOBENZOIC ACIDE,I1ZFP0.79
BE22-AMINOBENZOIC ACIDA,B2HU80.79
BE22-AMINOBENZOIC ACIDA,B1AN90.79
BE22-AMINOBENZOIC ACIDA,B,C,D2GVQ0.79
BE22-AMINOBENZOIC ACIDA,B2YR60.79
BE22-AMINOBENZOIC ACIDA,I1E8N0.79
BE22-AMINOBENZOIC ACIDA,B,C,D1ZYK0.79
BE22-AMINOBENZOIC ACIDA1C0I0.79
BE22-AMINOBENZOIC ACIDA,B2JB30.79
BE22-AMINOBENZOIC ACIDA,B,C,D2E4A0.79
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1F420.86
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1RXE0.86
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA2PER0.86
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.71
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.72
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.75
A842-[({2-[(1Z)-3-(DIMETHYLAMINO)PROP-
1-ENYL]-4-FLUOROPHENYL}SULFONYL)AMINO]-
5,6,7,8-TETRAHYDRONAPHTHALENE-1-
CARBOXYLIC ACID
A1YW90.79
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.72
DMBA,B1SRI0.73
INUN-(3-CYCLOPROPYL(5,6,7,8,9,10-HEXAHYDRO-
2-OXO-2H-CYCLOOCTA[B]PYRAN-3-YL)METHYL)PHENYLBENZENSULFONAMIDE
A7UPJ0.73
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.72
DY62-({[3-(3,4-dihydroisoquinolin-
2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid
A,B3DY60.77
A415-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACIDA1YW70.9
SNHA,B2D410.75
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.75
PXBparecoxibA2ZMB0.72
MHBA,B1SRG0.74
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.73
UNI4-CYANO-N-(3-CYCLOPROPYL(5,6,7,8,9,10-
HEXAHYDRO-4-HYDROXY-2-OXO-CYCLOOCTA[B]PYRAN-
3-YL)METHYL)PHENYL BENZENSULFONAMIDE
B1HPO0.7
PAB4-AMINOBENZOIC ACIDA1PBD0.73
PAB4-AMINOBENZOIC ACIDB2DZA0.73
PAB4-AMINOBENZOIC ACIDA1IUS0.73
PAB4-AMINOBENZOIC ACIDA1IUU0.73
PAB4-AMINOBENZOIC ACIDA1IUT0.73
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA,B1BM70.75
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA1S2C0.75
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA2PIX0.75
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.76
TPY(2S,3S)-3-FORMYL-2-({[(4-NITROPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACIDB1E360.72
TPY(2S,3S)-3-FORMYL-2-({[(4-NITROPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACIDB1E370.72
TPY(2S,3S)-3-FORMYL-2-({[(4-NITROPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACIDB1E380.72
SX12-amino-5-bromobenzoic acidA,B3CIZ0.74
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.72
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.78
A195-BROMO-2-{[(4-CHLOROPHENYL)SULFONYL]AMINO}BENZOIC ACIDA2GA20.8
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.74
GAB3-AMINOBENZOIC ACIDA,B3GSB0.74
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.74
GAB3-AMINOBENZOIC ACIDA3FHB0.74
NST3-{[(3-NITROANILINE]SULFONYL}THIOPHENE-
2-CARBOXYLIC ACID
B1XGI0.75
COX4-(5-METHYL-3-PHENYLISOXAZOL-4-
YL)BENZENESULFONAMIDE
A2AW10.71
C9P4-(dihydroxyboranyl)-2-({[4-(phenylsulfonyl)thiophen-
2-yl]sulfonyl}amino)benzoic acid
A,B3BM60.81
4NB4-NITROBENZOIC ACIDA,B3CHT0.77
FIH5-(4-FLUOROPHENYL)-3-{[(4-METHYLPHENYL)SULFONYL]AMINO}THIOPHENE-
2-CARBOXYLIC ACID
A,B2D3Z0.78