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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01324030

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HTC3-{[(4-CARBOXY-2-HYDROXYANILINE]SULFONYL}THIOPHENE-
2-CARBOXYLIC ACID
A,B1XGJ0.74
DNSN~6~-{[5-(DIMETHYLAMINO)-1-NAPHTHYL]SULFONYL}-
L-LYSINE
H1WZ10.72
A842-[({2-[(1Z)-3-(DIMETHYLAMINO)PROP-
1-ENYL]-4-FLUOROPHENYL}SULFONYL)AMINO]-
5,6,7,8-TETRAHYDRONAPHTHALENE-1-
CARBOXYLIC ACID
A1YW90.81
KYNKYNURENINEA,B,C,D2R2N0.71
KYNKYNURENINEA,B3E2Z0.71
KYNKYNURENINEA1XT70.71
KYNKYNURENINEA1T5M0.71
KYNKYNURENINEA1T5N0.71
KYNKYNURENINEA2VOV0.71
KYNKYNURENINEA2VOX0.71
UNI4-CYANO-N-(3-CYCLOPROPYL(5,6,7,8,9,10-
HEXAHYDRO-4-HYDROXY-2-OXO-CYCLOOCTA[B]PYRAN-
3-YL)METHYL)PHENYL BENZENSULFONAMIDE
B1HPO0.76
A415-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACIDA1YW70.94
PAB4-AMINOBENZOIC ACIDA1PBD0.8
PAB4-AMINOBENZOIC ACIDB2DZA0.8
PAB4-AMINOBENZOIC ACIDA1IUS0.8
PAB4-AMINOBENZOIC ACIDA1IUU0.8
PAB4-AMINOBENZOIC ACIDA1IUT0.8
NST3-{[(3-NITROANILINE]SULFONYL}THIOPHENE-
2-CARBOXYLIC ACID
B1XGI0.71
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.78
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.87
EOZ3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACIDA,B,C,D2FZK0.7
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.74
MTBA,B1SRF0.72
CCT5-(4-CYANOPHENYL)-3-{[(2-METHYLPHENYL)SULFONYL]AMINO}THIOPHENE-
2-CARBOXYLIC ACID
A,B2D3U0.78
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1F420.78
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1RXE0.78
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA2PER0.78
BE22-AMINOBENZOIC ACIDA,B,C,D,E,F,
G,H
1F8S0.82
BE22-AMINOBENZOIC ACIDE,I1ZFP0.82
BE22-AMINOBENZOIC ACIDA,B2HU80.82
BE22-AMINOBENZOIC ACIDA,B1AN90.82
BE22-AMINOBENZOIC ACIDA,B,C,D2GVQ0.82
BE22-AMINOBENZOIC ACIDA,B2YR60.82
BE22-AMINOBENZOIC ACIDA,I1E8N0.82
BE22-AMINOBENZOIC ACIDA,B,C,D1ZYK0.82
BE22-AMINOBENZOIC ACIDA1C0I0.82
BE22-AMINOBENZOIC ACIDA,B2JB30.82
BE22-AMINOBENZOIC ACIDA,B,C,D2E4A0.82
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.74
IDB3-[5-[(3-CARBOXY-2,4,6-TRIIODO-
PHENYL)CARBAMOYL]PENTANOYLAMINO]-
2,4,6-TRIIODO-BENZOIC ACID
A2BXN0.72
BOSN-[4-(AMINOSULFONYL)PHENYL]-2-MERCAPTOBENZAMIDEA2HD60.73
3HA3-HYDROXYANTHRANILIC ACIDA,B1U1W0.7
3HA3-HYDROXYANTHRANILIC ACIDA1YFY0.7
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.77
DY62-({[3-(3,4-dihydroisoquinolin-
2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid
A,B3DY60.78
RAC4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)-
BENZOIC ACID
H1MEX0.72
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.82
GAB3-AMINOBENZOIC ACIDA,B3GSB0.82
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.82
GAB3-AMINOBENZOIC ACIDA3FHB0.82
7613-(OXALYL-AMINO)-NAPHTHALENE-2-
CARBOXYLIC ACID
A1C840.7
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.71
EAB(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3T0.72
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.75
A752-[(PHENYLSULFONYL)AMINO]-5,6,7,8-
TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID
A1YW80.86
FIH5-(4-FLUOROPHENYL)-3-{[(4-METHYLPHENYL)SULFONYL]AMINO}THIOPHENE-
2-CARBOXYLIC ACID
A,B2D3Z0.81
DMBA,B1SRI0.75
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3S0.72
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B,C,D2H4B0.72
SX12-amino-5-bromobenzoic acidA,B3CIZ0.75
17A(2S)-2-[3-(AMINOMETHYL)PHENYL]-
3-[(R)-{(1R)-1-[(BIPHENYL-4-YLSULFONYL)AMINO]-
2-METHYLPROPYL}(HYDROXY)PHOSPHORYL]PROPANOIC ACID
A,B,C2PJ80.71
2UN{4-[2-BENZYL-3-METHOXY-2-(METHOXYCARBONYL)-
3-OXOPROPYL]PHENYL}SULFAMIC ACID
A,B2H020.71
A80N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO-
NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID
A2CBR0.73
INUN-(3-CYCLOPROPYL(5,6,7,8,9,10-HEXAHYDRO-
2-OXO-2H-CYCLOOCTA[B]PYRAN-3-YL)METHYL)PHENYLBENZENSULFONAMIDE
A7UPJ0.79
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.72
ST64-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACIDA,B1INH0.71
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B1KDG0.73
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B,C,D1O9L0.73
C9P4-(dihydroxyboranyl)-2-({[4-(phenylsulfonyl)thiophen-
2-yl]sulfonyl}amino)benzoic acid
A,B3BM60.83
4NB4-NITROBENZOIC ACIDA,B3CHT0.74
8785-IODO-2-(OXALYL-AMINO)-BENZOIC ACIDA1ECV0.72
GBS4-GUANIDINOBENZOIC ACIDX2AH40.72
GBS4-GUANIDINOBENZOIC ACIDA1GBT0.72
GBS4-GUANIDINOBENZOIC ACIDA1RTK0.72
GBS4-GUANIDINOBENZOIC ACIDA3DFL0.72
STC3-[(4-CHLOROANILINO)SULFONYL]THIOPHENE-
2-CARBOXYLIC ACID
A,B1L2S0.72
MHBA,B1SRG0.75
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.75
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.75
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.75
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBC0.71
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBF0.71
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1SXK0.71
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.76
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.76
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.76
SNHA,B2D410.78
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA,B1BM70.77
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA1S2C0.77
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA2PIX0.77
F792-(2-AMINOETHOXY)-3-ETHYL-6-{[(4-
FLUOROPHENYL)SULFONYL]AMINO}BENZOIC ACID
A2EA40.71
HABA,B1SRE0.76
235(2S)-2-[3-(AMINOMETHYL)PHENYL]-
3-[(R)-HYDROXY{(1R)-2-METHYL-1-
[(PHENYLSULFONYL)AMINO]PROPYL}PHOSPHORYL]PROPANOIC ACID
A,B,C2PJ70.71
UN73-[3-(3(S)-METHYLCARBAMOYL-7-SULFOAMINO-
3,4,-DIHYDRO-1H-ISOQUINOLIN-2-YL)-
3-OXO-PROPYL]-BENZOIC ACID
A2F710.71
5882-{[2-(2-CARBAMOYL-VINYL)-4-(2-
METHANESULFONYLAMINO-2-PENTYLCARBAMOYL-
ETHYL)-PHENYL]-OXALYL-AMINO}-BENZOIC ACID
A1ONY0.71
ICUMETHYL(2-ACETOXY-2-(2-CARBOXY-4-
AMINO-PHENYL))ACETATE
A1JIM0.71
U143-(5-AMINO-3-IMINO-3H-PYRAZOL-4-
YLAZO)-BENZOIC ACID
A2GG70.74
F773-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}-
2-METHYLBENZOIC ACID
A2EA20.87
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID
C1FAV0.71
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.77
4A34-AMINO-3-HYDROXYBENZOIC ACIDA,B2HDR0.71
A195-BROMO-2-{[(4-CHLOROPHENYL)SULFONYL]AMINO}BENZOIC ACIDA2GA20.82
MN71-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENEN1NLO0.71