Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00047526
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 |
KYN![]() | KYNURENINE | A,B,C,D | 2R2N | 0.76 | ![]() |
KYN![]() | KYNURENINE | A,B | 3E2Z | 0.76 | ![]() |
KYN![]() | KYNURENINE | A | 1XT7 | 0.76 | ![]() |
KYN![]() | KYNURENINE | A | 1T5M | 0.76 | ![]() |
KYN![]() | KYNURENINE | A | 1T5N | 0.76 | ![]() |
KYN![]() | KYNURENINE | A | 2VOV | 0.76 | ![]() |
KYN![]() | KYNURENINE | A | 2VOX | 0.76 | ![]() |
878![]() | 5-IODO-2-(OXALYL-AMINO)-BENZOIC ACID | A | 1ECV | 0.76 | ![]() |
DY6![]() | 2-({[3-(3,4-dihydroisoquinolin- 2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid | A,B | 3DY6 | 0.73 | ![]() |
OFL![]() | O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID | A | 1DVZ | 0.78 | ![]() |
BE2![]() | 2-AMINOBENZOIC ACID | A,B,C,D,E,F, G,H | 1F8S | 0.88 | ![]() |
BE2![]() | 2-AMINOBENZOIC ACID | E,I | 1ZFP | 0.88 | ![]() |
BE2![]() | 2-AMINOBENZOIC ACID | A,B | 2HU8 | 0.88 | ![]() |
BE2![]() | 2-AMINOBENZOIC ACID | A,B | 1AN9 | 0.88 | ![]() |
BE2![]() | 2-AMINOBENZOIC ACID | A,B,C,D | 2GVQ | 0.88 | ![]() |
BE2![]() | 2-AMINOBENZOIC ACID | A,B | 2YR6 | 0.88 | ![]() |
BE2![]() | 2-AMINOBENZOIC ACID | A,I | 1E8N | 0.88 | ![]() |
BE2![]() | 2-AMINOBENZOIC ACID | A,B,C,D | 1ZYK | 0.88 | ![]() |
BE2![]() | 2-AMINOBENZOIC ACID | A | 1C0I | 0.88 | ![]() |
BE2![]() | 2-AMINOBENZOIC ACID | A,B | 2JB3 | 0.88 | ![]() |
BE2![]() | 2-AMINOBENZOIC ACID | A,B,C,D | 2E4A | 0.88 | ![]() |
ST3![]() | 4-(ACETYLAMINO)-3-AMINO BENZOIC ACID | A,B | 1IVE | 0.71 | ![]() |
MCG![]() | (S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE | A,B | 1ISS | 0.72 | ![]() |
MTB![]() | A,B | 1SRF | 0.72 | ![]() | |
TYZ![]() | PARA ACETAMIDO BENZOIC ACID | B,C | 2BNI | 0.74 | ![]() |
TYZ![]() | PARA ACETAMIDO BENZOIC ACID | A | 1W5K | 0.74 | ![]() |
TYZ![]() | PARA ACETAMIDO BENZOIC ACID | A | 1W5J | 0.74 | ![]() |
NAB![]() | A,B | 1SRJ | 0.7 | ![]() | |
4A3![]() | 4-AMINO-3-HYDROXYBENZOIC ACID | A,B | 2HDR | 0.72 | ![]() |
EMT![]() | 2-(ETHYLMERCURI-THIO)-BENZOIC ACID | A,B | 1KDG | 0.71 | ![]() |
EMT![]() | 2-(ETHYLMERCURI-THIO)-BENZOIC ACID | A,B,C,D | 1O9L | 0.71 | ![]() |
A19![]() | 5-BROMO-2-{[(4-CHLOROPHENYL)SULFONYL]AMINO}BENZOIC ACID | A | 2GA2 | 0.75 | ![]() |
MRE![]() | 2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID | A,B | 2V9C | 0.77 | ![]() |
GAB![]() | 3-AMINOBENZOIC ACID | A,B,C,D,E,F | 2PQF | 0.82 | ![]() |
GAB![]() | 3-AMINOBENZOIC ACID | A,B | 3GSB | 0.82 | ![]() |
GAB![]() | 3-AMINOBENZOIC ACID | A,B,C | 1GBN | 0.82 | ![]() |
GAB![]() | 3-AMINOBENZOIC ACID | A | 3FHB | 0.82 | ![]() |
PAB![]() | 4-AMINOBENZOIC ACID | A | 1PBD | 0.81 | ![]() |
PAB![]() | 4-AMINOBENZOIC ACID | B | 2DZA | 0.81 | ![]() |
PAB![]() | 4-AMINOBENZOIC ACID | A | 1IUS | 0.81 | ![]() |
PAB![]() | 4-AMINOBENZOIC ACID | A | 1IUU | 0.81 | ![]() |
PAB![]() | 4-AMINOBENZOIC ACID | A | 1IUT | 0.81 | ![]() |
IPC![]() | 3-[ISOPROPYL(4-METHYLBENZOYL)AMINO]- 5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID | A | 1YVX | 0.72 | ![]() |
SX1![]() | 2-amino-5-bromobenzoic acid | A,B | 3CIZ | 0.81 | ![]() |
OBA![]() | 2-(OXALYL-AMINO)-BENZOIC ACID | A | 1C85 | 0.78 | ![]() |
MNB![]() | 5-MERCAPTO-2-NITRO-BENZOIC ACID | A | 1F42 | 0.85 | ![]() |
MNB![]() | 5-MERCAPTO-2-NITRO-BENZOIC ACID | A | 1RXE | 0.85 | ![]() |
MNB![]() | 5-MERCAPTO-2-NITRO-BENZOIC ACID | A | 2PER | 0.85 | ![]() |
A75![]() | 2-[(PHENYLSULFONYL)AMINO]-5,6,7,8- TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID | A | 1YW8 | 0.78 | ![]() |
HAB![]() | A,B | 1SRE | 0.77 | ![]() | |
RAC![]() | 4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)- BENZOIC ACID | H | 1MEX | 0.7 | ![]() |
F77![]() | 3-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}- 2-METHYLBENZOIC ACID | A | 2EA2 | 0.78 | ![]() |
AHC![]() | 4-AMINOHYDROCINNAMIC ACID | A,B | 2AY1 | 0.73 | ![]() |
FIH![]() | 5-(4-FLUOROPHENYL)-3-{[(4-METHYLPHENYL)SULFONYL]AMINO}THIOPHENE- 2-CARBOXYLIC ACID | A,B | 2D3Z | 0.76 | ![]() |
MHB![]() | A,B | 1SRG | 0.76 | ![]() | |
DMB![]() | A,B | 1SRI | 0.75 | ![]() | |
BHA![]() | 2-HYDROXY-4-AMINOBENZOIC ACID | A | 1PBC | 0.72 | ![]() |
BHA![]() | 2-HYDROXY-4-AMINOBENZOIC ACID | A | 1PBF | 0.72 | ![]() |
BHA![]() | 2-HYDROXY-4-AMINOBENZOIC ACID | A | 1SXK | 0.72 | ![]() |
SNH![]() | A,B | 2D41 | 0.75 | ![]() | |
KY1![]() | 4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID | A,B,C,D | 2CH2 | 0.78 | ![]() |
XP1![]() | 4-(DIMETHYLAMINO)BENZOIC ACID | A,B | 2VJ1 | 0.73 | ![]() |
XP1![]() | 4-(DIMETHYLAMINO)BENZOIC ACID | A | 2V6N | 0.73 | ![]() |
4NB![]() | 4-NITROBENZOIC ACID | A,B | 3CHT | 0.74 | ![]() |
C9P![]() | 4-(dihydroxyboranyl)-2-({[4-(phenylsulfonyl)thiophen- 2-yl]sulfonyl}amino)benzoic acid | A,B | 3BM6 | 0.8 | ![]() |
GBS![]() | 4-GUANIDINOBENZOIC ACID | X | 2AH4 | 0.72 | ![]() |
GBS![]() | 4-GUANIDINOBENZOIC ACID | A | 1GBT | 0.72 | ![]() |
GBS![]() | 4-GUANIDINOBENZOIC ACID | A | 1RTK | 0.72 | ![]() |
GBS![]() | 4-GUANIDINOBENZOIC ACID | A | 3DFL | 0.72 | ![]() |
CCT![]() | 5-(4-CYANOPHENYL)-3-{[(2-METHYLPHENYL)SULFONYL]AMINO}THIOPHENE- 2-CARBOXYLIC ACID | A,B | 2D3U | 0.76 | ![]() |
4MB![]() | 4-[(METHYLSULFONYL)AMINO]BENZOIC ACID | A,B | 2HDS | 0.78 | ![]() |
NN3![]() | 3-{ISOPROPYL[(TRANS-4-METHYLCYCLOHEXYL)CARBONYL]AMINO}- 5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID | A,B | 2GIR | 0.72 | ![]() |
3HA![]() | 3-HYDROXYANTHRANILIC ACID | A,B | 1U1W | 0.76 | ![]() |
3HA![]() | 3-HYDROXYANTHRANILIC ACID | A | 1YFY | 0.76 | ![]() |
3B4![]() | 2-(cyclohexylamino)benzoic acid | A,B | 3B4P | 0.78 | ![]() |
U14![]() | 3-(5-AMINO-3-IMINO-3H-PYRAZOL-4- YLAZO)-BENZOIC ACID | A | 2GG7 | 0.75 | ![]() |
A41![]() | 5-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACID | A | 1YW7 | 0.84 | ![]() |
A84![]() | 2-[({2-[(1Z)-3-(DIMETHYLAMINO)PROP- 1-ENYL]-4-FLUOROPHENYL}SULFONYL)AMINO]- 5,6,7,8-TETRAHYDRONAPHTHALENE-1- CARBOXYLIC ACID | A | 1YW9 | 0.74 | ![]() |
FLF![]() | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A,B | 1BM7 | 0.78 | ![]() |
FLF![]() | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A | 1S2C | 0.78 | ![]() |
FLF![]() | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A | 2PIX | 0.78 | ![]() |
4BA![]() | 4-[(2-CARBOXY-ETHYLAMINO)-METHYL]- BENZOIC ACID | C | 1FAV | 0.71 | ![]() |
SOA![]() | ISATOIC ANHYDRIDE | A | 1BIO | 0.7 | ![]() |