Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00048350
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 |
201![]() | 3-AMIDO-5-BIPHENYL-BENZOIC ACID | A | 2B0M | 0.75 | ![]() |
AHC![]() | 4-AMINOHYDROCINNAMIC ACID | A,B | 2AY1 | 0.77 | ![]() |
BZM![]() | BENZOIC ACID PHENYLMETHYLESTER | A,B | 1DZM | 0.74 | ![]() |
EAB![]() | (3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID | A,B | 2H3T | 0.74 | ![]() |
F77![]() | 3-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}- 2-METHYLBENZOIC ACID | A | 2EA2 | 0.74 | ![]() |
D27![]() | 2-{[(2E)-3-(3,4-dimethoxyphenyl)prop- 2-enoyl]amino}benzoic acid | A,B,C,D | 2VD0 | 0.71 | ![]() |
4MB![]() | 4-[(METHYLSULFONYL)AMINO]BENZOIC ACID | A,B | 2HDS | 0.79 | ![]() |
FBC![]() | A,B | 2B9A | 0.71 | ![]() | |
HAB![]() | A,B | 1SRE | 0.74 | ![]() | |
4A3![]() | 4-AMINO-3-HYDROXYBENZOIC ACID | A,B | 2HDR | 0.73 | ![]() |
761![]() | 3-(OXALYL-AMINO)-NAPHTHALENE-2- CARBOXYLIC ACID | A | 1C84 | 0.74 | ![]() |
MCM![]() | 7-AMINO-4-METHYL-CHROMEN-2-ONE | A,B,C,D,I,J, K,L | 3EWF | 0.72 | ![]() |
MCM![]() | 7-AMINO-4-METHYL-CHROMEN-2-ONE | A,B,I,L | 2V5W | 0.72 | ![]() |
MCM![]() | 7-AMINO-4-METHYL-CHROMEN-2-ONE | B | 1VDN | 0.72 | ![]() |
MCM![]() | 7-AMINO-4-METHYL-CHROMEN-2-ONE | C | 1VAI | 0.72 | ![]() |
INU![]() | N-(3-CYCLOPROPYL(5,6,7,8,9,10-HEXAHYDRO- 2-OXO-2H-CYCLOOCTA[B]PYRAN-3-YL)METHYL)PHENYLBENZENSULFONAMIDE | A | 7UPJ | 0.7 | ![]() |
4FC![]() | A | 1YSG | 0.71 | ![]() | |
A75![]() | 2-[(PHENYLSULFONYL)AMINO]-5,6,7,8- TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID | A | 1YW8 | 0.73 | ![]() |
GAB![]() | 3-AMINOBENZOIC ACID | A,B,C,D,E,F | 2PQF | 0.81 | ![]() |
GAB![]() | 3-AMINOBENZOIC ACID | A,B | 3GSB | 0.81 | ![]() |
GAB![]() | 3-AMINOBENZOIC ACID | A,B,C | 1GBN | 0.81 | ![]() |
GAB![]() | 3-AMINOBENZOIC ACID | A | 3FHB | 0.81 | ![]() |
MRE![]() | 2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID | A,B | 2V9C | 0.75 | ![]() |
ZAB![]() | (3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID | A,B | 2H3S | 0.74 | ![]() |
ZAB![]() | (3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID | A,B,C,D | 2H4B | 0.74 | ![]() |
3MB![]() | 3-METHOXYBENZAMIDE | A | 3PAX | 0.71 | ![]() |
XIN![]() | methyl (3Z)-3-{[(4-{methyl[(4-methylpiperazin- 1-yl)acetyl]amino}phenyl)amino](phenyl)methylidene}- 2-oxo-2,3-dihydro-1H-indole-6-carboxylate | A | 3C7Q | 0.72 | ![]() |
MN7![]() | 1-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENE | N | 1NLO | 0.72 | ![]() |
MTB![]() | A,B | 1SRF | 0.73 | ![]() | |
IBR![]() | A | 9EST | 0.8 | ![]() | |
DMB![]() | A,B | 1SRI | 0.74 | ![]() | |
26C![]() | A,B | 2F7I | 0.71 | ![]() | |
RAC![]() | 4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)- BENZOIC ACID | H | 1MEX | 0.77 | ![]() |
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 | ![]() |
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 | 0.71 | ![]() |
FDI![]() | 4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACID | A | 1B9S | 0.71 | ![]() |
AAN![]() | 2-(4-NITROPHENYL)ACETIC ACID | B | 1AJN | 0.71 | ![]() |
2UN![]() | {4-[2-BENZYL-3-METHOXY-2-(METHOXYCARBONYL)- 3-OXOPROPYL]PHENYL}SULFAMIC ACID | A,B | 2H02 | 0.75 | ![]() |
UN7![]() | 3-[3-(3(S)-METHYLCARBAMOYL-7-SULFOAMINO- 3,4,-DIHYDRO-1H-ISOQUINOLIN-2-YL)- 3-OXO-PROPYL]-BENZOIC ACID | A | 2F71 | 0.7 | ![]() |
ICU![]() | METHYL(2-ACETOXY-2-(2-CARBOXY-4- AMINO-PHENYL))ACETATE | A | 1JIM | 0.78 | ![]() |
A80![]() | N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO- NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID | A | 2CBR | 0.79 | ![]() |
BE2![]() | 2-AMINOBENZOIC ACID | A,B,C,D,E,F, G,H | 1F8S | 0.8 | ![]() |
BE2![]() | 2-AMINOBENZOIC ACID | E,I | 1ZFP | 0.8 | ![]() |
BE2![]() | 2-AMINOBENZOIC ACID | A,B | 2HU8 | 0.8 | ![]() |
BE2![]() | 2-AMINOBENZOIC ACID | A,B | 1AN9 | 0.8 | ![]() |
BE2![]() | 2-AMINOBENZOIC ACID | A,B,C,D | 2GVQ | 0.8 | ![]() |
BE2![]() | 2-AMINOBENZOIC ACID | A,B | 2YR6 | 0.8 | ![]() |
BE2![]() | 2-AMINOBENZOIC ACID | A,I | 1E8N | 0.8 | ![]() |
BE2![]() | 2-AMINOBENZOIC ACID | A,B,C,D | 1ZYK | 0.8 | ![]() |
BE2![]() | 2-AMINOBENZOIC ACID | A | 1C0I | 0.8 | ![]() |
BE2![]() | 2-AMINOBENZOIC ACID | A,B | 2JB3 | 0.8 | ![]() |
BE2![]() | 2-AMINOBENZOIC ACID | A,B,C,D | 2E4A | 0.8 | ![]() |
3FT![]() | A | 2BXV | 0.71 | ![]() | |
UC3![]() | 1-METHYL ETHYL 2-CHLORO-5-[[[(1- METHYLETHOXY)THIOOXO]METHYL]AMINO]- BENZOATE | A | 1RT6 | 0.72 | ![]() |
IDB![]() | 3-[5-[(3-CARBOXY-2,4,6-TRIIODO- PHENYL)CARBAMOYL]PENTANOYLAMINO]- 2,4,6-TRIIODO-BENZOIC ACID | A | 2BXN | 0.7 | ![]() |
3B4![]() | 2-(cyclohexylamino)benzoic acid | A,B | 3B4P | 0.75 | ![]() |
FDN![]() | (5S)-3-ANILINO-5-(2,4-DIFLUOROPHENYL)- 5-METHYL-1,3-OXAZOLIDINE-2,4-DIONE | C,D,E | 2FYU | 0.73 | ![]() |
A41![]() | 5-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACID | A | 1YW7 | 0.77 | ![]() |
ST3![]() | 4-(ACETYLAMINO)-3-AMINO BENZOIC ACID | A,B | 1IVE | 0.72 | ![]() |
SX1![]() | 2-amino-5-bromobenzoic acid | A,B | 3CIZ | 0.73 | ![]() |
MHB![]() | A,B | 1SRG | 0.73 | ![]() | |
FLF![]() | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A,B | 1BM7 | 0.75 | ![]() |
FLF![]() | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A | 1S2C | 0.75 | ![]() |
FLF![]() | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A | 2PIX | 0.75 | ![]() |
6CA![]() | A | 2FLM | 0.7 | ![]() | |
OFL![]() | O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID | A | 1DVZ | 0.76 | ![]() |
4NB![]() | 4-NITROBENZOIC ACID | A,B | 3CHT | 0.74 | ![]() |
3AB![]() | 3-aminobenzamide | A,B,C,D | 3GOY | 0.71 | ![]() |
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 | ![]() |
MAZ![]() | FORMIC ACID 3-AMINO-BENZYL ESTER | H,L | 1JYQ | 0.77 | ![]() |
KY1![]() | 4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID | A,B,C,D | 2CH2 | 0.77 | ![]() |
XP1![]() | 4-(DIMETHYLAMINO)BENZOIC ACID | A,B | 2VJ1 | 0.75 | ![]() |
XP1![]() | 4-(DIMETHYLAMINO)BENZOIC ACID | A | 2V6N | 0.75 | ![]() |
BHA![]() | 2-HYDROXY-4-AMINOBENZOIC ACID | A | 1PBC | 0.71 | ![]() |
BHA![]() | 2-HYDROXY-4-AMINOBENZOIC ACID | A | 1PBF | 0.71 | ![]() |
BHA![]() | 2-HYDROXY-4-AMINOBENZOIC ACID | A | 1SXK | 0.71 | ![]() |
MCG![]() | (S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE | A,B | 1ISS | 0.8 | ![]() |
TYZ![]() | PARA ACETAMIDO BENZOIC ACID | B,C | 2BNI | 0.76 | ![]() |
TYZ![]() | PARA ACETAMIDO BENZOIC ACID | A | 1W5K | 0.76 | ![]() |
TYZ![]() | PARA ACETAMIDO BENZOIC ACID | A | 1W5J | 0.76 | ![]() |
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 | 0.71 | ![]() |
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 | 0.71 | ![]() |
PBF![]() | PARA-(BENZOYL)-PHENYLALANINE | A | 2FR9 | 0.7 | ![]() |
PBF![]() | PARA-(BENZOYL)-PHENYLALANINE | A,B | 1EEN | 0.7 | ![]() |
PBF![]() | PARA-(BENZOYL)-PHENYLALANINE | A | 2HGZ | 0.7 | ![]() |
PBF![]() | PARA-(BENZOYL)-PHENYLALANINE | A | 2FRB | 0.7 | ![]() |
KYN![]() | KYNURENINE | A,B,C,D | 2R2N | 0.73 | ![]() |
KYN![]() | KYNURENINE | A,B | 3E2Z | 0.73 | ![]() |
KYN![]() | KYNURENINE | A | 1XT7 | 0.73 | ![]() |
KYN![]() | KYNURENINE | A | 1T5M | 0.73 | ![]() |
KYN![]() | KYNURENINE | A | 1T5N | 0.73 | ![]() |
KYN![]() | KYNURENINE | A | 2VOV | 0.73 | ![]() |
KYN![]() | KYNURENINE | A | 2VOX | 0.73 | ![]() |
OBA![]() | 2-(OXALYL-AMINO)-BENZOIC ACID | A | 1C85 | 0.71 | ![]() |
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 | ![]() |
U14![]() | 3-(5-AMINO-3-IMINO-3H-PYRAZOL-4- YLAZO)-BENZOIC ACID | A | 2GG7 | 0.74 | ![]() |
44C![]() | A | 2FBR | 0.7 | ![]() | |
4BA![]() | 4-[(2-CARBOXY-ETHYLAMINO)-METHYL]- BENZOIC ACID | C | 1FAV | 0.71 | ![]() |