Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03936858
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 |
TNS![]() | A,B,L | 2G2R | 0.71 | ![]() | |
MRE![]() | 2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID | A,B | 2V9C | 0.74 | ![]() |
EOT![]() | [(1-[(BIS-CARBOXYMETHYL-AMINO)- METHYL]-2-{4-[3-(2-HYDROXY-ETHYL)- THIOUREIDO]-PHENY}-ETHYL)-CARBOXYMETHYL- AMINO]-ACETIC ACID | H | 1INE | 0.74 | ![]() |
EOT![]() | [(1-[(BIS-CARBOXYMETHYL-AMINO)- METHYL]-2-{4-[3-(2-HYDROXY-ETHYL)- THIOUREIDO]-PHENY}-ETHYL)-CARBOXYMETHYL- AMINO]-ACETIC ACID | H | 1IND | 0.74 | ![]() |
NOX![]() | N-(PARA-GLUTARAMIDOPHENYL-ETHYL)- PIPERIDINIUM-N-OXIDE | L | 35C8 | 0.72 | ![]() |
ST6![]() | 4-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACID | A,B | 1INH | 0.7 | ![]() |
OFL![]() | O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID | A | 1DVZ | 0.77 | ![]() |
ST4![]() | 4-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACID | A | 1INF | 0.74 | ![]() |
MPQ![]() | N-METHYL-ALPHA-PHENYL-GLYCINE | D | 1D6E | 0.72 | ![]() |
EOZ![]() | 3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACID | A,B,C,D | 2FZK | 0.7 | ![]() |
LZQ![]() | 4-[3-(dibenzylamino)phenyl]-2,4- dioxobutanoic acid | A | 3EB1 | 0.71 | ![]() |
1JZ![]() | 1-[4-(hydroxymethyl)phenyl]guanidine | B | 3FVF | 0.73 | ![]() |
2UN![]() | {4-[2-BENZYL-3-METHOXY-2-(METHOXYCARBONYL)- 3-OXOPROPYL]PHENYL}SULFAMIC ACID | A,B | 2H02 | 0.72 | ![]() |
GBS![]() | 4-GUANIDINOBENZOIC ACID | X | 2AH4 | 0.79 | ![]() |
GBS![]() | 4-GUANIDINOBENZOIC ACID | A | 1GBT | 0.79 | ![]() |
GBS![]() | 4-GUANIDINOBENZOIC ACID | A | 1RTK | 0.79 | ![]() |
GBS![]() | 4-GUANIDINOBENZOIC ACID | A | 3DFL | 0.79 | ![]() |
IDB![]() | 3-[5-[(3-CARBOXY-2,4,6-TRIIODO- PHENYL)CARBAMOYL]PENTANOYLAMINO]- 2,4,6-TRIIODO-BENZOIC ACID | A | 2BXN | 0.73 | ![]() |
SPB![]() | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | B,H | 1UB5 | 0.78 | ![]() |
SPB![]() | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | A,B,H,L | 3CFB | 0.78 | ![]() |
SPB![]() | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | B,H | 3CFD | 0.78 | ![]() |
SPB![]() | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | A,L | 1FL3 | 0.78 | ![]() |
SC5![]() | 2-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)- 1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE- 1,1-DIOL | H | 1YNK | 0.73 | ![]() |
MNP![]() | 2-(3-NITROPHENYL)ACETIC ACID | B | 1AI5 | 0.71 | ![]() |
BE2![]() | 2-AMINOBENZOIC ACID | A,B,C,D,E,F, G,H | 1F8S | 0.71 | ![]() |
BE2![]() | 2-AMINOBENZOIC ACID | E,I | 1ZFP | 0.71 | ![]() |
BE2![]() | 2-AMINOBENZOIC ACID | A,B | 2HU8 | 0.71 | ![]() |
BE2![]() | 2-AMINOBENZOIC ACID | A,B | 1AN9 | 0.71 | ![]() |
BE2![]() | 2-AMINOBENZOIC ACID | A,B,C,D | 2GVQ | 0.71 | ![]() |
BE2![]() | 2-AMINOBENZOIC ACID | A,B | 2YR6 | 0.71 | ![]() |
BE2![]() | 2-AMINOBENZOIC ACID | A,I | 1E8N | 0.71 | ![]() |
BE2![]() | 2-AMINOBENZOIC ACID | A,B,C,D | 1ZYK | 0.71 | ![]() |
BE2![]() | 2-AMINOBENZOIC ACID | A | 1C0I | 0.71 | ![]() |
BE2![]() | 2-AMINOBENZOIC ACID | A,B | 2JB3 | 0.71 | ![]() |
BE2![]() | 2-AMINOBENZOIC ACID | A,B,C,D | 2E4A | 0.71 | ![]() |
DIF![]() | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | A,B | 3CFQ | 0.79 | ![]() |
DIF![]() | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | A | 1SV9 | 0.79 | ![]() |
DIF![]() | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | A | 1NR6 | 0.79 | ![]() |
DIF![]() | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | A | 3HWV | 0.79 | ![]() |
DIF![]() | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | B | 1DVX | 0.79 | ![]() |
DIF![]() | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | A | 2B6D | 0.79 | ![]() |
DIF![]() | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | A,B,C,D | 1PXX | 0.79 | ![]() |
DIF![]() | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | A | 2B17 | 0.79 | ![]() |
LO1![]() | [[4-(AMINOMETHYL)PHENYL]AMINO]OXO- ACETIC ACID, | A | 1WAX | 0.71 | ![]() |
25D![]() | 2-cyclohexyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen- 2-yl)carbonyl]-D-alanine | A,B | 3DD1 | 0.71 | ![]() |
761![]() | 3-(OXALYL-AMINO)-NAPHTHALENE-2- CARBOXYLIC ACID | A | 1C84 | 0.7 | ![]() |
FDI![]() | 4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACID | A | 1B9S | 0.71 | ![]() |
606![]() | (2S)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)- 3-[(S)-HYDROXY(3-PHENYLPROPYL)PHOSPHORYL]PROPANOIC ACID | A,B,C | 2PIZ | 0.79 | ![]() |
CBL![]() | CHLORAMBUCIL | A,B | 3CSJ | 0.75 | ![]() |
GEP![]() | N-METHYL-N-(PARA-GLUTARAMIDOPHENYL- ETHYL)-PIPERIDINIUM ION | L | 25C8 | 0.74 | ![]() |
FLF![]() | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A,B | 1BM7 | 0.76 | ![]() |
FLF![]() | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A | 1S2C | 0.76 | ![]() |
FLF![]() | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A | 2PIX | 0.76 | ![]() |
GIS![]() | ETHYL-(2-CARBOXY-4-GUANIDINIUM- PHENYL)-CHLOROACETATE | E | 8EST | 0.7 | ![]() |
3B4![]() | 2-(cyclohexylamino)benzoic acid | A,B | 3B4P | 0.75 | ![]() |
PG9![]() | D-PHENYLGLYCINE | A,B,G,H | 10GS | 0.71 | ![]() |
PG9![]() | D-PHENYLGLYCINE | A,B,C,D | 2B4K | 0.71 | ![]() |
KYN![]() | KYNURENINE | A,B,C,D | 2R2N | 0.7 | ![]() |
KYN![]() | KYNURENINE | A,B | 3E2Z | 0.7 | ![]() |
KYN![]() | KYNURENINE | A | 1XT7 | 0.7 | ![]() |
KYN![]() | KYNURENINE | A | 1T5M | 0.7 | ![]() |
KYN![]() | KYNURENINE | A | 1T5N | 0.7 | ![]() |
KYN![]() | KYNURENINE | A | 2VOV | 0.7 | ![]() |
KYN![]() | KYNURENINE | A | 2VOX | 0.7 | ![]() |
GAB![]() | 3-AMINOBENZOIC ACID | A,B,C,D,E,F | 2PQF | 0.72 | ![]() |
GAB![]() | 3-AMINOBENZOIC ACID | A,B | 3GSB | 0.72 | ![]() |
GAB![]() | 3-AMINOBENZOIC ACID | A,B,C | 1GBN | 0.72 | ![]() |
GAB![]() | 3-AMINOBENZOIC ACID | A | 3FHB | 0.72 | ![]() |
AHC![]() | 4-AMINOHYDROCINNAMIC ACID | A,B | 2AY1 | 0.81 | ![]() |
AAN![]() | 2-(4-NITROPHENYL)ACETIC ACID | B | 1AJN | 0.74 | ![]() |
XP1![]() | 4-(DIMETHYLAMINO)BENZOIC ACID | A,B | 2VJ1 | 0.73 | ![]() |
XP1![]() | 4-(DIMETHYLAMINO)BENZOIC ACID | A | 2V6N | 0.73 | ![]() |
2T1![]() | 2-[({4-[2-(trifluoromethyl)phenyl]piperidin- 1-yl}carbonyl)amino]benzoic acid | A,B | 3FMZ | 0.74 | ![]() |
INH![]() | N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2- PHENYLETHYL)GLYCYL-L-ARGININE-N- PHENYLAMIDE | A | 1SLN | 0.72 | ![]() |
INH![]() | N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2- PHENYLETHYL)GLYCYL-L-ARGININE-N- PHENYLAMIDE | A | 2SRT | 0.72 | ![]() |
INH![]() | N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2- PHENYLETHYL)GLYCYL-L-ARGININE-N- PHENYLAMIDE | A | 3BG8 | 0.72 | ![]() |
KY1![]() | 4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID | A,B,C,D | 2CH2 | 0.72 | ![]() |
4MB![]() | 4-[(METHYLSULFONYL)AMINO]BENZOIC ACID | A,B | 2HDS | 0.7 | ![]() |
A80![]() | N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO- NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID | A | 2CBR | 0.74 | ![]() |
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 | ![]() |
GAS![]() | B,H | 1ETZ | 0.71 | ![]() | |
GAS![]() | H | 2CGR | 0.71 | ![]() | |
EAB![]() | (3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID | A,B | 2H3T | 0.79 | ![]() |
PPN![]() | PARA-NITROPHENYLALANINE | I | 1YTJ | 0.73 | ![]() |
OBA![]() | 2-(OXALYL-AMINO)-BENZOIC ACID | A | 1C85 | 0.71 | ![]() |
ZAB![]() | (3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID | A,B | 2H3S | 0.79 | ![]() |
ZAB![]() | (3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID | A,B,C,D | 2H4B | 0.79 | ![]() |
P20![]() | 2-(5-{[AMINO(IMINO)METHYL]AMINO}- 2-CHLOROPHENYL)-3-SULFANYLPROPANOIC ACID | A,B,C | 1ZG7 | 0.75 | ![]() |
LIZ![]() | N-{(1S,2S)-2-[bis(carboxymethyl)amino]cyclohexyl}- N-{(2R)-2-[bis(carboxymethyl)amino]- 3-[4-({[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]carbamothioyl}amino)phenyl]propyl}glycine | A,B | 3DSZ | 0.75 | ![]() |
4PG![]() | 1-[4-(2-oxo-2-phenylethyl)phenyl]guanidine | U | 2R2W | 0.76 | ![]() |
PAB![]() | 4-AMINOBENZOIC ACID | A | 1PBD | 0.72 | ![]() |
PAB![]() | 4-AMINOBENZOIC ACID | B | 2DZA | 0.72 | ![]() |
PAB![]() | 4-AMINOBENZOIC ACID | A | 1IUS | 0.72 | ![]() |
PAB![]() | 4-AMINOBENZOIC ACID | A | 1IUU | 0.72 | ![]() |
PAB![]() | 4-AMINOBENZOIC ACID | A | 1IUT | 0.72 | ![]() |
L98![]() | (2R)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)- 3-SULFANYLPROPANOIC ACID | A,B,C | 1ZG8 | 0.81 | ![]() |
ST3![]() | 4-(ACETYLAMINO)-3-AMINO BENZOIC ACID | A,B | 1IVE | 0.73 | ![]() |