Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03090150
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 |
3XH | 3-Hydroxyhippuric acid | A | 3E9K | 0.73 | |
B3Y | (3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID | A | 3HF0 | 0.73 | |
B3Y | (3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID | A | 2OXK | 0.73 | |
B3Y | (3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID | A,B,C | 2OXJ | 0.73 | |
MNB | 5-MERCAPTO-2-NITRO-BENZOIC ACID | A | 1F42 | 0.72 | |
MNB | 5-MERCAPTO-2-NITRO-BENZOIC ACID | A | 1RXE | 0.72 | |
MNB | 5-MERCAPTO-2-NITRO-BENZOIC ACID | A | 2PER | 0.72 | |
AHC | 4-AMINOHYDROCINNAMIC ACID | A,B | 2AY1 | 0.72 | |
GAB | 3-AMINOBENZOIC ACID | A,B,C,D,E,F | 2PQF | 0.79 | |
GAB | 3-AMINOBENZOIC ACID | A,B | 3GSB | 0.79 | |
GAB | 3-AMINOBENZOIC ACID | A,B,C | 1GBN | 0.79 | |
GAB | 3-AMINOBENZOIC ACID | A | 3FHB | 0.79 | |
GHP | 4-HYDROXYPHENYLGLYCINE | A | 1DSR | 0.73 | |
DB1 | 2,3-DIHYDROXYBENZAMIDE | A,B,C | 1X71 | 0.75 | |
MIY | (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)- 3,10,12,12A-TETRAHYDROXY-1,11-DIOXO- 1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE- 2-CARBOXAMIDE | A | 2DRD | 0.7 | |
BIE | (3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONE | A,B | 2CL5 | 0.75 | |
247 | (3R)-3-amino-2,2-difluoro-3-(4- hydroxyphenyl)propanoic acid | A,B | 2QVE | 0.71 | |
3HB | 3-HYDROXYBENZOIC ACID | M,N,O,P,Q,R | 3PCB | 0.72 | |
3HB | 3-HYDROXYBENZOIC ACID | A | 2DKH | 0.72 | |
ICU | METHYL(2-ACETOXY-2-(2-CARBOXY-4- AMINO-PHENYL))ACETATE | A | 1JIM | 0.74 | |
NIY | META-NITRO-TYROSINE | A | 2ADP | 0.73 | |
NIY | META-NITRO-TYROSINE | A | 3DIV | 0.73 | |
NIY | META-NITRO-TYROSINE | A | 2H5U | 0.73 | |
NIY | META-NITRO-TYROSINE | A | 1K4Q | 0.73 | |
NIY | META-NITRO-TYROSINE | B,G,O,Y | 1SDA | 0.73 | |
MRE | 2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID | A,B | 2V9C | 0.73 | |
AA6 | 3-[4,5-DIHYDROXY-2-2-(2-HYDROXYETHYLAMINO)- PHENYL]-2-METHYLAMINO-PROPIONIC ACID | E,I | 1QR3 | 0.71 | |
NPA | 2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID | H | 1NGP | 0.72 | |
DTY | D-TYROSINE | A | 1C4B | 0.71 | |
DTY | D-TYROSINE | A,L | 1ZEA | 0.71 | |
DTY | D-TYROSINE | A,B,C,D,E,F, G,H | 1OF6 | 0.71 | |
DTY | D-TYROSINE | A,B | 1UNO | 0.71 | |
DTY | D-TYROSINE | A | 2IGZ | 0.71 | |
DTY | D-TYROSINE | A,B,C,H,K,L | 2R5D | 0.71 | |
DTY | D-TYROSINE | A,B | 2Q33 | 0.71 | |
DTY | D-TYROSINE | H,S | 2H9E | 0.71 | |
DTY | D-TYROSINE | A,B,C,H,K,L | 2R5B | 0.71 | |
DTY | D-TYROSINE | A | 2IH0 | 0.71 | |
DTY | D-TYROSINE | A | 1D7T | 0.71 | |
DTY | D-TYROSINE | A,B | 1XA0 | 0.71 | |
DBS | 2-(2,3-DIHYDROXY-BENZOYLAMINO)- 3-HYDROXY-PROPIONIC ACID | A,B,C | 1L6M | 0.71 | |
DBS | 2-(2,3-DIHYDROXY-BENZOYLAMINO)- 3-HYDROXY-PROPIONIC ACID | A,B,C | 3CBC | 0.71 | |
DBS | 2-(2,3-DIHYDROXY-BENZOYLAMINO)- 3-HYDROXY-PROPIONIC ACID | A,B,C | 3BY0 | 0.71 | |
HNA | 1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONE | A | 1M2P | 0.76 | |
TY2 | 3-AMINO-L-TYROSINE | A,B | 2VH3 | 0.77 | |
4AA | 4-CHLORO-3-HYDROXYANTHRANILIC ACID | A | 1YFW | 0.76 | |
4AA | 4-CHLORO-3-HYDROXYANTHRANILIC ACID | A | 1YFX | 0.76 | |
NU1 | 8-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN- 4-ONE | A | 4PAX | 0.73 | |
137 | 1-(O-CARBOXY-PHENYLAMINO)-1-DEOXY- D-RIBULOSE-5-PHOSPHATE | P | 1JCM | 0.71 | |
137 | 1-(O-CARBOXY-PHENYLAMINO)-1-DEOXY- D-RIBULOSE-5-PHOSPHATE | A | 1LBM | 0.71 | |
137 | 1-(O-CARBOXY-PHENYLAMINO)-1-DEOXY- D-RIBULOSE-5-PHOSPHATE | A | 1LBL | 0.71 | |
137 | 1-(O-CARBOXY-PHENYLAMINO)-1-DEOXY- D-RIBULOSE-5-PHOSPHATE | A | 1LBF | 0.71 | |
BE2 | 2-AMINOBENZOIC ACID | A,B,C,D,E,F, G,H | 1F8S | 0.82 | |
BE2 | 2-AMINOBENZOIC ACID | E,I | 1ZFP | 0.82 | |
BE2 | 2-AMINOBENZOIC ACID | A,B | 2HU8 | 0.82 | |
BE2 | 2-AMINOBENZOIC ACID | A,B | 1AN9 | 0.82 | |
BE2 | 2-AMINOBENZOIC ACID | A,B,C,D | 2GVQ | 0.82 | |
BE2 | 2-AMINOBENZOIC ACID | A,B | 2YR6 | 0.82 | |
BE2 | 2-AMINOBENZOIC ACID | A,I | 1E8N | 0.82 | |
BE2 | 2-AMINOBENZOIC ACID | A,B,C,D | 1ZYK | 0.82 | |
BE2 | 2-AMINOBENZOIC ACID | A | 1C0I | 0.82 | |
BE2 | 2-AMINOBENZOIC ACID | A,B | 2JB3 | 0.82 | |
BE2 | 2-AMINOBENZOIC ACID | A,B,C,D | 2E4A | 0.82 | |
BHA | 2-HYDROXY-4-AMINOBENZOIC ACID | A | 1PBC | 0.78 | |
BHA | 2-HYDROXY-4-AMINOBENZOIC ACID | A | 1PBF | 0.78 | |
BHA | 2-HYDROXY-4-AMINOBENZOIC ACID | A | 1SXK | 0.78 | |
D3P | (2R)-AMINO(3,5-DIHYDROXYPHENYL)ACETIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 1W7Q | 0.72 | |
D3P | (2R)-AMINO(3,5-DIHYDROXYPHENYL)ACETIC ACID | A,B,C,D,E,F, G,H | 1W7R | 0.72 | |
MCG | (S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE | A,B | 1ISS | 0.73 | |
617 | 2-{[(4-CHLOROPHENOXY)ACETYL]AMINO}BENZOIC ACID | A | 2QE5 | 0.7 | |
3HA | 3-HYDROXYANTHRANILIC ACID | A,B | 1U1W | 0.86 | |
3HA | 3-HYDROXYANTHRANILIC ACID | A | 1YFY | 0.86 | |
SX1 | 2-amino-5-bromobenzoic acid | A,B | 3CIZ | 0.76 | |
TYQ | 3-AMINO-6-HYDROXY-TYROSINE | A,B | 1D6Y | 0.74 | |
TYQ | 3-AMINO-6-HYDROXY-TYROSINE | A,B | 1D6U | 0.74 | |
4NB | 4-NITROBENZOIC ACID | A,B | 3CHT | 0.71 | |
HAB | A,B | 1SRE | 0.86 | ||
LJ5 | N-(3,5-dibromo-4-hydroxyphenyl)benzamide | A,B | 3CN4 | 0.71 | |
A75 | 2-[(PHENYLSULFONYL)AMINO]-5,6,7,8- TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID | A | 1YW8 | 0.7 | |
OBA | 2-(OXALYL-AMINO)-BENZOIC ACID | A | 1C85 | 0.77 | |
761 | 3-(OXALYL-AMINO)-NAPHTHALENE-2- CARBOXYLIC ACID | A | 1C84 | 0.72 | |
OFL | O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID | A | 1DVZ | 0.75 | |
DGH | (2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 1W7Q | 0.73 | |
DGH | (2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACID | A,B,C,D,E,F, G,H | 1W7R | 0.73 | |
AZY | 3-AZIDO-L-TYROSINE | A | 2YXN | 0.76 | |
MTY | META-TYROSINE | A | 2TOH | 0.72 | |
MTY | META-TYROSINE | A,B | 1BIQ | 0.72 | |
MTY | META-TYROSINE | A | 1Q7O | 0.72 | |
DAH | 3,4-DIHYDROXYPHENYLALANINE | A,B | 1RNR | 0.72 | |
DAH | 3,4-DIHYDROXYPHENYLALANINE | A | 6PAH | 0.72 | |
DAH | 3,4-DIHYDROXYPHENYLALANINE | A,B | 1IVV | 0.72 | |
F77 | 3-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}- 2-METHYLBENZOIC ACID | A | 2EA2 | 0.7 | |
MOB | A,B | 1SRH | 0.75 | ||
4BA | 4-[(2-CARBOXY-ETHYLAMINO)-METHYL]- BENZOIC ACID | C | 1FAV | 0.7 | |
TYZ | PARA ACETAMIDO BENZOIC ACID | B,C | 2BNI | 0.72 | |
TYZ | PARA ACETAMIDO BENZOIC ACID | A | 1W5K | 0.72 | |
TYZ | PARA ACETAMIDO BENZOIC ACID | A | 1W5J | 0.72 | |
KY1 | 4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID | A,B,C,D | 2CH2 | 0.82 | |
TY3 | 3-HYDROXY-L-TYROSINE | A,B | 2VH3 | 0.72 | |
3B4 | 2-(cyclohexylamino)benzoic acid | A,B | 3B4P | 0.75 | |
MNY | 5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONE | A | 1M2R | 0.78 | |
B23 | 5-(2-NITROPHENYL)-2-FUROIC ACID | A | 2Q92 | 0.73 | |
KYN | KYNURENINE | A,B,C,D | 2R2N | 0.78 | |
KYN | KYNURENINE | A,B | 3E2Z | 0.78 | |
KYN | KYNURENINE | A | 1XT7 | 0.78 | |
KYN | KYNURENINE | A | 1T5M | 0.78 | |
KYN | KYNURENINE | A | 1T5N | 0.78 | |
KYN | KYNURENINE | A | 2VOV | 0.78 | |
KYN | KYNURENINE | A | 2VOX | 0.78 | |
FLF | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A,B | 1BM7 | 0.74 | |
FLF | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A | 1S2C | 0.74 | |
FLF | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A | 2PIX | 0.74 | |
4A3 | 4-AMINO-3-HYDROXYBENZOIC ACID | A,B | 2HDR | 0.83 | |
ENO | 3-(4-HYDROXY-PHENYL)PYRUVIC ACID | H,I | 1A2C | 0.71 | |
ENO | 3-(4-HYDROXY-PHENYL)PYRUVIC ACID | A,B,C | 1CA7 | 0.71 | |
ENO | 3-(4-HYDROXY-PHENYL)PYRUVIC ACID | A,B,C,D | 3GGO | 0.71 | |
U14 | 3-(5-AMINO-3-IMINO-3H-PYRAZOL-4- YLAZO)-BENZOIC ACID | A | 2GG7 | 0.72 | |
MHB | A,B | 1SRG | 0.85 | ||
NAB | A,B | 1SRJ | 0.81 | ||
SCL | ACETIC ACID SALICYLOYL-AMINO-ESTER | A | 1EBV | 0.74 | |
44C | A | 2FBR | 0.73 | ||
968 | 2-[(7-HYDROXY-NAPHTHALEN-1-YL)- OXALYL-AMINO]-BENZOIC ACID | A | 1ONZ | 0.76 | |
A41 | 5-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACID | A | 1YW7 | 0.74 | |
DMB | A,B | 1SRI | 0.83 | ||
2AC | 2-AMINO-P-CRESOL | H,I | 1A2C | 0.7 | |
2AC | 2-AMINO-P-CRESOL | A | 1L4M | 0.7 | |
878 | 5-IODO-2-(OXALYL-AMINO)-BENZOIC ACID | A | 1ECV | 0.75 | |
D27 | 2-{[(2E)-3-(3,4-dimethoxyphenyl)prop- 2-enoyl]amino}benzoic acid | A,B,C,D | 2VD0 | 0.75 | |
D4P | (2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID | A | 1DSR | 0.73 | |
D4P | (2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID | A,B,C,D,E,F, G,H | 1W7R | 0.73 | |
D4P | (2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 1W7Q | 0.73 | |
P2C | 2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACID | A,B | 1U21 | 0.75 | |
SHA | SALICYLHYDROXAMIC ACID | X | 1V0H | 0.71 | |
SHA | SALICYLHYDROXAMIC ACID | A | 2QPK | 0.71 | |
SHA | SALICYLHYDROXAMIC ACID | A | 3FNL | 0.71 | |
SHA | SALICYLHYDROXAMIC ACID | A | 3GCJ | 0.71 | |
SHA | SALICYLHYDROXAMIC ACID | A | 1CK6 | 0.71 | |
HBD | 4-HYDROXYBENZAMIDE | B,C,D | 1BEN | 0.72 | |
MTB | A,B | 1SRF | 0.82 | ||
6CA | A | 2FLM | 0.73 | ||
ST2 | 4-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACID | A,B | 1IVC | 0.72 | |
XP1 | 4-(DIMETHYLAMINO)BENZOIC ACID | A,B | 2VJ1 | 0.7 | |
XP1 | 4-(DIMETHYLAMINO)BENZOIC ACID | A | 2V6N | 0.7 | |
4MB | 4-[(METHYLSULFONYL)AMINO]BENZOIC ACID | A,B | 2HDS | 0.75 | |
PAB | 4-AMINOBENZOIC ACID | A | 1PBD | 0.77 | |
PAB | 4-AMINOBENZOIC ACID | B | 2DZA | 0.77 | |
PAB | 4-AMINOBENZOIC ACID | A | 1IUS | 0.77 | |
PAB | 4-AMINOBENZOIC ACID | A | 1IUU | 0.77 | |
PAB | 4-AMINOBENZOIC ACID | A | 1IUT | 0.77 | |
R2C | 5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACID | A | 2PRL | 0.76 | |
HTC | 3-{[(4-CARBOXY-2-HYDROXYANILINE]SULFONYL}THIOPHENE- 2-CARBOXYLIC ACID | A,B | 1XGJ | 0.71 |