Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00477441
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 | 0.71 | ![]() |
KYN![]() | KYNURENINE | A,B | 3E2Z | 0.71 | ![]() |
KYN![]() | KYNURENINE | A | 1XT7 | 0.71 | ![]() |
KYN![]() | KYNURENINE | A | 1T5M | 0.71 | ![]() |
KYN![]() | KYNURENINE | A | 1T5N | 0.71 | ![]() |
KYN![]() | KYNURENINE | A | 2VOV | 0.71 | ![]() |
KYN![]() | KYNURENINE | A | 2VOX | 0.71 | ![]() |
NIY![]() | META-NITRO-TYROSINE | A | 2ADP | 0.74 | ![]() |
NIY![]() | META-NITRO-TYROSINE | A | 3DIV | 0.74 | ![]() |
NIY![]() | META-NITRO-TYROSINE | A | 2H5U | 0.74 | ![]() |
NIY![]() | META-NITRO-TYROSINE | A | 1K4Q | 0.74 | ![]() |
NIY![]() | META-NITRO-TYROSINE | B,G,O,Y | 1SDA | 0.74 | ![]() |
NBY![]() | N-{[(4-nitrophenyl)carbonyl]carbamoyl}- beta-D-glucopyranosylamine | A | 2QN8 | 0.71 | ![]() |
ST6![]() | 4-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACID | A,B | 1INH | 0.7 | ![]() |
VBP![]() | 4-({3-[(2R)-2-amino-2-carboxyethyl]- 2,6-dioxo-3,6-dihydropyrimidin- 1(2H)-yl}methyl)benzoic acid | B,E,G,H,J,L, N,P | 3H06 | 0.75 | ![]() |
BAN![]() | HONH-BENZYLMALONYL-L-ALANYLGLYCINE- P-NITROANILIDE | A | 5TLN | 0.72 | ![]() |
NPC![]() | 4-HYDROXY-3-NITROPHENYLACETYL-EPSILON- AMINOCAPROIC ACID ANION | H,I,J | 1A6V | 0.74 | ![]() |
FCK![]() | 3-({[3-({[(1E)-(2,6-dioxo-1,2,3,6- tetrahydropyrimidin-4-yl)methylidene]amino}oxy)propyl]amino}methyl)benzoic acid | B | 3FCK | 0.72 | ![]() |
NIP![]() | 4-HYDROXY-5-IODO-3-NITROPHENYLACETYL- EPSILON-AMINOCAPROIC ACID ANION | H | 1A6W | 0.73 | ![]() |
INF![]() | D-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINE | A | 1HDQ | 0.73 | ![]() |
PPN![]() | PARA-NITROPHENYLALANINE | I | 1YTJ | 0.8 | ![]() |
U02![]() | [2-(3-{[6-(1-BENZYL-PROPYL)-4-HYDROXY- 2-OXO-2H-PYRAN-3-YL]-CYCLOPROPYL- METHYL}-PHENYLCARBAMOYL)-ETHYL]- CARBAMIC ACID TERT-BUTYL ESTER | A | 2UPJ | 0.72 | ![]() |
NAT![]() | ETHYL 4-(3-HYDROXYPHENYL)-6-METHYL- 2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE- 5-CARBOXYLATE | A,B | 1Q0B | 0.71 | ![]() |
NAT![]() | ETHYL 4-(3-HYDROXYPHENYL)-6-METHYL- 2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE- 5-CARBOXYLATE | A,B | 1X88 | 0.71 | ![]() |
PNC![]() | PARA-NITROBENZYL GLUTARYL GLYCINIC ACID | L | 1YEF | 0.75 | ![]() |
HNT![]() | [(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN- 3-YL]METHANOL | A,B | 2G70 | 0.71 | ![]() |
ING![]() | D-[(AMINO)CARBONYL]PHENYLALANINE | A,B | 1UF8 | 0.71 | ![]() |
ING![]() | D-[(AMINO)CARBONYL]PHENYLALANINE | A,B,D,E | 1HDU | 0.71 | ![]() |
3B4![]() | 2-(cyclohexylamino)benzoic acid | A,B | 3B4P | 0.75 | ![]() |
INH![]() | N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2- PHENYLETHYL)GLYCYL-L-ARGININE-N- PHENYLAMIDE | A | 1SLN | 0.7 | ![]() |
INH![]() | N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2- PHENYLETHYL)GLYCYL-L-ARGININE-N- PHENYLAMIDE | A | 2SRT | 0.7 | ![]() |
INH![]() | N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2- PHENYLETHYL)GLYCYL-L-ARGININE-N- PHENYLAMIDE | A | 3BG8 | 0.7 | ![]() |
AAN![]() | 2-(4-NITROPHENYL)ACETIC ACID | B | 1AJN | 0.73 | ![]() |
MNP![]() | 2-(3-NITROPHENYL)ACETIC ACID | B | 1AI5 | 0.72 | ![]() |
LHY![]() | L-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINE | A,B,D,E | 1HEE | 0.73 | ![]() |
CLC![]() | N-ACETYL-P-NITROPHENYLSERINOL | A | 1GRR | 0.74 | ![]() |
B3N![]() | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A,B | 3F06 | 0.72 | ![]() |
B3N![]() | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A,B | 3EZP | 0.72 | ![]() |
B3N![]() | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A | 3EW8 | 0.72 | ![]() |
B3N![]() | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A,B | 3EZT | 0.72 | ![]() |
B3N![]() | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A | 1T67 | 0.72 | ![]() |
NOX![]() | N-(PARA-GLUTARAMIDOPHENYL-ETHYL)- PIPERIDINIUM-N-OXIDE | L | 35C8 | 0.71 | ![]() |
BRX![]() | BROMAMPHENICOL | A,B,C,D,E,F | 2JKL | 0.71 | ![]() |
AHC![]() | 4-AMINOHYDROCINNAMIC ACID | A,B | 2AY1 | 0.71 | ![]() |
TNS![]() | A,B,L | 2G2R | 0.72 | ![]() | |
UBC![]() | (S)-1-(2-AMINO-2-CARBOXYETHYL)- 3-(2-CARBOXYBENZYL)PYRIMIDINE-2,4- DIONE | A,B | 2F35 | 0.75 | ![]() |
AAH![]() | H | 1KEL | 0.7 | ![]() | |
AAH![]() | B,H | 1FL6 | 0.7 | ![]() | |
4NB![]() | 4-NITROBENZOIC ACID | A,B | 3CHT | 0.7 | ![]() |
PNB![]() | 4-NITRO-BENZYLPHOSPHONOBUTANOYL- GLYCINE | A,L | 1YED | 0.71 | ![]() |
PNB![]() | 4-NITRO-BENZYLPHOSPHONOBUTANOYL- GLYCINE | H,L | 1YEC | 0.71 | ![]() |
PNB![]() | 4-NITRO-BENZYLPHOSPHONOBUTANOYL- GLYCINE | H | 1YEE | 0.71 | ![]() |
ST4![]() | 4-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACID | A | 1INF | 0.71 | ![]() |
PRQ![]() | (3S)-3-amino-3-(2-nitrophenyl)propanoic acid | C,F,I,L | 2VE6 | 0.79 | ![]() |
2T1![]() | 2-[({4-[2-(trifluoromethyl)phenyl]piperidin- 1-yl}carbonyl)amino]benzoic acid | A,B | 3FMZ | 0.72 | ![]() |
MRE![]() | 2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID | A,B | 2V9C | 0.71 | ![]() |
3FL![]() | 3-{[(4-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin- 4-yl)methyl]amino}butyl)amino]methyl}benzoic acid | A,B | 3FCL | 0.73 | ![]() |