Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02266114
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
---|---|---|---|---|---|
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
BJP | (1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID | A | 1ERO | 0.74 | |
452 | 2-{[N-(2-ACETYL-5-CHLORO-4-FLUOROPHENYL)GLYCYL]AMINO}BENZOIC ACID | A,B | 2QE2 | 0.75 | |
MHB | A,B | 1SRG | 0.82 | ||
INU | N-(3-CYCLOPROPYL(5,6,7,8,9,10-HEXAHYDRO- 2-OXO-2H-CYCLOOCTA[B]PYRAN-3-YL)METHYL)PHENYLBENZENSULFONAMIDE | A | 7UPJ | 0.72 | |
156 | 4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID | A | 1FCZ | 0.72 | |
UN7 | 3-[3-(3(S)-METHYLCARBAMOYL-7-SULFOAMINO- 3,4,-DIHYDRO-1H-ISOQUINOLIN-2-YL)- 3-OXO-PROPYL]-BENZOIC ACID | A | 2F71 | 0.73 | |
A80 | N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO- NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID | A | 2CBR | 0.8 | |
DIF | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | A,B | 3CFQ | 0.71 | |
DIF | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | A | 1SV9 | 0.71 | |
DIF | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | A | 1NR6 | 0.71 | |
DIF | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | A | 3HWV | 0.71 | |
DIF | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | B | 1DVX | 0.71 | |
DIF | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | A | 2B6D | 0.71 | |
DIF | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | A,B,C,D | 1PXX | 0.71 | |
DIF | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | A | 2B17 | 0.71 | |
4MB | 4-[(METHYLSULFONYL)AMINO]BENZOIC ACID | A,B | 2HDS | 0.79 | |
DY6 | 2-({[3-(3,4-dihydroisoquinolin- 2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid | A,B | 3DY6 | 0.73 | |
DZ1 | N-(3,5-dibromo-4-hydroxyphenyl)- 2,6-dimethylbenzamide | A,B | 3ESN | 0.71 | |
HAB | A,B | 1SRE | 0.84 | ||
4BA | 4-[(2-CARBOXY-ETHYLAMINO)-METHYL]- BENZOIC ACID | C | 1FAV | 0.73 | |
PAB | 4-AMINOBENZOIC ACID | A | 1PBD | 0.83 | |
PAB | 4-AMINOBENZOIC ACID | B | 2DZA | 0.83 | |
PAB | 4-AMINOBENZOIC ACID | A | 1IUS | 0.83 | |
PAB | 4-AMINOBENZOIC ACID | A | 1IUU | 0.83 | |
PAB | 4-AMINOBENZOIC ACID | A | 1IUT | 0.83 | |
3B4 | 2-(cyclohexylamino)benzoic acid | A,B | 3B4P | 0.83 | |
ICU | METHYL(2-ACETOXY-2-(2-CARBOXY-4- AMINO-PHENYL))ACETATE | A | 1JIM | 0.75 | |
4AF | 4-ACETYL-L-PHENYLALANINE | A | 1ZH6 | 0.72 | |
4A3 | 4-AMINO-3-HYDROXYBENZOIC ACID | A,B | 2HDR | 0.75 | |
C9P | 4-(dihydroxyboranyl)-2-({[4-(phenylsulfonyl)thiophen- 2-yl]sulfonyl}amino)benzoic acid | A,B | 3BM6 | 0.75 | |
SX1 | 2-amino-5-bromobenzoic acid | A,B | 3CIZ | 0.82 | |
IDB | 3-[5-[(3-CARBOXY-2,4,6-TRIIODO- PHENYL)CARBAMOYL]PENTANOYLAMINO]- 2,4,6-TRIIODO-BENZOIC ACID | A | 2BXN | 0.75 | |
AHC | 4-AMINOHYDROCINNAMIC ACID | A,B | 2AY1 | 0.78 | |
BHA | 2-HYDROXY-4-AMINOBENZOIC ACID | A | 1PBC | 0.74 | |
BHA | 2-HYDROXY-4-AMINOBENZOIC ACID | A | 1PBF | 0.74 | |
BHA | 2-HYDROXY-4-AMINOBENZOIC ACID | A | 1SXK | 0.74 | |
3HA | 3-HYDROXYANTHRANILIC ACID | A,B | 1U1W | 0.78 | |
3HA | 3-HYDROXYANTHRANILIC ACID | A | 1YFY | 0.78 | |
MN7 | 1-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENE | N | 1NLO | 0.72 | |
201 | 3-AMIDO-5-BIPHENYL-BENZOIC ACID | A | 2B0M | 0.78 | |
R2C | 5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACID | A | 2PRL | 0.72 | |
A41 | 5-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACID | A | 1YW7 | 0.83 | |
A19 | 5-BROMO-2-{[(4-CHLOROPHENYL)SULFONYL]AMINO}BENZOIC ACID | A | 2GA2 | 0.73 | |
TY2 | 3-AMINO-L-TYROSINE | A,B | 2VH3 | 0.73 | |
RAC | 4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)- BENZOIC ACID | H | 1MEX | 0.77 | |
4NB | 4-NITROBENZOIC ACID | A,B | 3CHT | 0.76 | |
EAB | (3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID | A,B | 2H3T | 0.77 | |
I3C | 5-amino-2,4,6-triiodobenzene-1,3- dicarboxylic acid | A | 3GT4 | 0.72 | |
I3C | 5-amino-2,4,6-triiodobenzene-1,3- dicarboxylic acid | A | 3E3T | 0.72 | |
I3C | 5-amino-2,4,6-triiodobenzene-1,3- dicarboxylic acid | A | 3E3D | 0.72 | |
I3C | 5-amino-2,4,6-triiodobenzene-1,3- dicarboxylic acid | A | 3E3S | 0.72 | |
I3C | 5-amino-2,4,6-triiodobenzene-1,3- dicarboxylic acid | A | 3E79 | 0.72 | |
BJI | 1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID | A | 1ERM | 0.71 | |
968 | 2-[(7-HYDROXY-NAPHTHALEN-1-YL)- OXALYL-AMINO]-BENZOIC ACID | A | 1ONZ | 0.72 | |
XP1 | 4-(DIMETHYLAMINO)BENZOIC ACID | A,B | 2VJ1 | 0.76 | |
XP1 | 4-(DIMETHYLAMINO)BENZOIC ACID | A | 2V6N | 0.76 | |
KYN | KYNURENINE | A,B,C,D | 2R2N | 0.82 | |
KYN | KYNURENINE | A,B | 3E2Z | 0.82 | |
KYN | KYNURENINE | A | 1XT7 | 0.82 | |
KYN | KYNURENINE | A | 1T5M | 0.82 | |
KYN | KYNURENINE | A | 1T5N | 0.82 | |
KYN | KYNURENINE | A | 2VOV | 0.82 | |
KYN | KYNURENINE | A | 2VOX | 0.82 | |
TYZ | PARA ACETAMIDO BENZOIC ACID | B,C | 2BNI | 0.77 | |
TYZ | PARA ACETAMIDO BENZOIC ACID | A | 1W5K | 0.77 | |
TYZ | PARA ACETAMIDO BENZOIC ACID | A | 1W5J | 0.77 | |
961 | 3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8- TETRAMETHYL-5,6,7,8,-TETRAHYDRO- NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID | A | 4LBD | 0.72 | |
961 | 3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8- TETRAMETHYL-5,6,7,8,-TETRAHYDRO- NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID | A | 1EXX | 0.72 | |
OFL | O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID | A | 1DVZ | 0.85 | |
ZAB | (3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID | A,B | 2H3S | 0.77 | |
ZAB | (3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID | A,B,C,D | 2H4B | 0.77 | |
A75 | 2-[(PHENYLSULFONYL)AMINO]-5,6,7,8- TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID | A | 1YW8 | 0.83 | |
PBF | PARA-(BENZOYL)-PHENYLALANINE | A | 2FR9 | 0.75 | |
PBF | PARA-(BENZOYL)-PHENYLALANINE | A,B | 1EEN | 0.75 | |
PBF | PARA-(BENZOYL)-PHENYLALANINE | A | 2HGZ | 0.75 | |
PBF | PARA-(BENZOYL)-PHENYLALANINE | A | 2FRB | 0.75 | |
KY1 | 4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID | A,B,C,D | 2CH2 | 0.86 | |
4FC | A | 1YSG | 0.72 | ||
F77 | 3-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}- 2-METHYLBENZOIC ACID | A | 2EA2 | 0.83 | |
MRE | 2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID | A,B | 2V9C | 0.82 | |
NTD | 2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE- 1,3-DIONE | A,B | 1T47 | 0.71 | |
2UN | {4-[2-BENZYL-3-METHOXY-2-(METHOXYCARBONYL)- 3-OXOPROPYL]PHENYL}SULFAMIC ACID | A,B | 2H02 | 0.71 | |
FLF | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A,B | 1BM7 | 0.84 | |
FLF | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A | 1S2C | 0.84 | |
FLF | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A | 2PIX | 0.84 | |
ST6 | 4-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACID | A,B | 1INH | 0.71 | |
6CA | A | 2FLM | 0.72 | ||
SNH | A,B | 2D41 | 0.73 | ||
LZQ | 4-[3-(dibenzylamino)phenyl]-2,4- dioxobutanoic acid | A | 3EB1 | 0.72 | |
A84 | 2-[({2-[(1Z)-3-(DIMETHYLAMINO)PROP- 1-ENYL]-4-FLUOROPHENYL}SULFONYL)AMINO]- 5,6,7,8-TETRAHYDRONAPHTHALENE-1- CARBOXYLIC ACID | A | 1YW9 | 0.77 | |
EOZ | 3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACID | A,B,C,D | 2FZK | 0.71 | |
FBC | A,B | 2B9A | 0.72 | ||
U14 | 3-(5-AMINO-3-IMINO-3H-PYRAZOL-4- YLAZO)-BENZOIC ACID | A | 2GG7 | 0.77 | |
878 | 5-IODO-2-(OXALYL-AMINO)-BENZOIC ACID | A | 1ECV | 0.77 | |
NDD | 2,6-DICARBOXYNAPHTHALENE | A | 1U4O | 0.72 | |
NDD | 2,6-DICARBOXYNAPHTHALENE | A,B,C,D | 1HAC | 0.72 | |
989 | 2-{[4-(2-ACETYLAMINO-2-PENTYLCARBAMOYL- ETHYL)-NAPHTHALEN-1-YL]-OXALYL- AMINO}-BENZOIC ACID | A | 1NL9 | 0.73 | |
MCG | (S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE | A,B | 1ISS | 0.79 | |
CCT | 5-(4-CYANOPHENYL)-3-{[(2-METHYLPHENYL)SULFONYL]AMINO}THIOPHENE- 2-CARBOXYLIC ACID | A,B | 2D3U | 0.71 | |
FIH | 5-(4-FLUOROPHENYL)-3-{[(4-METHYLPHENYL)SULFONYL]AMINO}THIOPHENE- 2-CARBOXYLIC ACID | A,B | 2D3Z | 0.73 | |
MNB | 5-MERCAPTO-2-NITRO-BENZOIC ACID | A | 1F42 | 0.76 | |
MNB | 5-MERCAPTO-2-NITRO-BENZOIC ACID | A | 1RXE | 0.76 | |
MNB | 5-MERCAPTO-2-NITRO-BENZOIC ACID | A | 2PER | 0.76 | |
FE3 | 4-(2-aminoethyl)-3-chlorobenzoic acid | A,B | 2K1Q | 0.7 | |
MNY | 5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONE | A | 1M2R | 0.77 | |
D27 | 2-{[(2E)-3-(3,4-dimethoxyphenyl)prop- 2-enoyl]amino}benzoic acid | A,B,C,D | 2VD0 | 0.73 | |
SOA | ISATOIC ANHYDRIDE | A | 1BIO | 0.72 | |
TTB | 4-[(1E)-2-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)PROP-1-ENYL]BENZOIC ACID | A | 1XAP | 0.71 | |
4AA | 4-CHLORO-3-HYDROXYANTHRANILIC ACID | A | 1YFW | 0.7 | |
4AA | 4-CHLORO-3-HYDROXYANTHRANILIC ACID | A | 1YFX | 0.7 | |
794 | 2-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACID | A | 1NO6 | 0.77 | |
AZY | 3-AZIDO-L-TYROSINE | A | 2YXN | 0.72 | |
44C | A | 2FBR | 0.72 | ||
IBR | A | 9EST | 0.75 | ||
OSB | 2-SUCCINYLBENZOATE | A | 1FHV | 0.73 | |
OSB | 2-SUCCINYLBENZOATE | A,B,C,D | 1SJB | 0.73 | |
OSB | 2-SUCCINYLBENZOATE | A,B | 2QVH | 0.73 | |
DMB | A,B | 1SRI | 0.83 | ||
679 | 2-CHLORO-5-[4-(3-CHLORO-PHENYL)- 2,5-DIOXO-2,5-DIHYDRO-1H-PYRROL- 3-YLAMINO]-BENZOIC ACID | A,B | 1Q4L | 0.71 | |
2T1 | 2-[({4-[2-(trifluoromethyl)phenyl]piperidin- 1-yl}carbonyl)amino]benzoic acid | A,B | 3FMZ | 0.78 | |
P2C | 2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACID | A,B | 1U21 | 0.74 | |
588 | 2-{[2-(2-CARBAMOYL-VINYL)-4-(2- METHANESULFONYLAMINO-2-PENTYLCARBAMOYL- ETHYL)-PHENYL]-OXALYL-AMINO}-BENZOIC ACID | A | 1ONY | 0.71 | |
AAN | 2-(4-NITROPHENYL)ACETIC ACID | B | 1AJN | 0.72 | |
NAB | A,B | 1SRJ | 0.8 | ||
RXB | (1S)-2-oxo-1-phenyl-2-[(1,3,4-trioxo- 1,2,3,4-tetrahydroisoquinolin-5- yl)amino]ethyl acetate | A,B,C,D | 3DEI | 0.71 | |
HNA | 1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONE | A | 1M2P | 0.73 | |
BE2 | 2-AMINOBENZOIC ACID | A,B,C,D,E,F, G,H | 1F8S | 0.89 | |
BE2 | 2-AMINOBENZOIC ACID | E,I | 1ZFP | 0.89 | |
BE2 | 2-AMINOBENZOIC ACID | A,B | 2HU8 | 0.89 | |
BE2 | 2-AMINOBENZOIC ACID | A,B | 1AN9 | 0.89 | |
BE2 | 2-AMINOBENZOIC ACID | A,B,C,D | 2GVQ | 0.89 | |
BE2 | 2-AMINOBENZOIC ACID | A,B | 2YR6 | 0.89 | |
BE2 | 2-AMINOBENZOIC ACID | A,I | 1E8N | 0.89 | |
BE2 | 2-AMINOBENZOIC ACID | A,B,C,D | 1ZYK | 0.89 | |
BE2 | 2-AMINOBENZOIC ACID | A | 1C0I | 0.89 | |
BE2 | 2-AMINOBENZOIC ACID | A,B | 2JB3 | 0.89 | |
BE2 | 2-AMINOBENZOIC ACID | A,B,C,D | 2E4A | 0.89 | |
394 | R-3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8- TETRAMETHYL-5,6,7,8,-TETRAHYDRO- NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID | A | 1EXA | 0.72 | |
FDI | 4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACID | A | 1B9S | 0.72 | |
3FT | A | 2BXV | 0.7 | ||
GBS | 4-GUANIDINOBENZOIC ACID | X | 2AH4 | 0.74 | |
GBS | 4-GUANIDINOBENZOIC ACID | A | 1GBT | 0.74 | |
GBS | 4-GUANIDINOBENZOIC ACID | A | 1RTK | 0.74 | |
GBS | 4-GUANIDINOBENZOIC ACID | A | 3DFL | 0.74 | |
MTB | A,B | 1SRF | 0.83 | ||
GAB | 3-AMINOBENZOIC ACID | A,B,C,D,E,F | 2PQF | 0.85 | |
GAB | 3-AMINOBENZOIC ACID | A,B | 3GSB | 0.85 | |
GAB | 3-AMINOBENZOIC ACID | A,B,C | 1GBN | 0.85 | |
GAB | 3-AMINOBENZOIC ACID | A | 3FHB | 0.85 | |
761 | 3-(OXALYL-AMINO)-NAPHTHALENE-2- CARBOXYLIC ACID | A | 1C84 | 0.79 | |
26C | A,B | 2F7I | 0.72 | ||
LOB | LOBELINE | A,B,C,D,E,F, G,H,I,J | 2BYS | 0.7 | |
OBA | 2-(OXALYL-AMINO)-BENZOIC ACID | A | 1C85 | 0.79 | |
137 | 1-(O-CARBOXY-PHENYLAMINO)-1-DEOXY- D-RIBULOSE-5-PHOSPHATE | P | 1JCM | 0.72 | |
137 | 1-(O-CARBOXY-PHENYLAMINO)-1-DEOXY- D-RIBULOSE-5-PHOSPHATE | A | 1LBM | 0.72 | |
137 | 1-(O-CARBOXY-PHENYLAMINO)-1-DEOXY- D-RIBULOSE-5-PHOSPHATE | A | 1LBL | 0.72 | |
137 | 1-(O-CARBOXY-PHENYLAMINO)-1-DEOXY- D-RIBULOSE-5-PHOSPHATE | A | 1LBF | 0.72 | |
ST3 | 4-(ACETYLAMINO)-3-AMINO BENZOIC ACID | A,B | 1IVE | 0.73 |