Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00020330
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 |
PPN![]() | PARA-NITROPHENYLALANINE | I | 1YTJ | 0.71 | ![]() |
878![]() | 5-IODO-2-(OXALYL-AMINO)-BENZOIC ACID | A | 1ECV | 0.71 | ![]() |
MTB![]() | A,B | 1SRF | 0.7 | ![]() | |
NPA![]() | 2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID | H | 1NGP | 0.7 | ![]() |
HAB![]() | A,B | 1SRE | 0.74 | ![]() | |
4NB![]() | 4-NITROBENZOIC ACID | A,B | 3CHT | 0.82 | ![]() |
MNP![]() | 2-(3-NITROPHENYL)ACETIC ACID | B | 1AI5 | 0.76 | ![]() |
RAC![]() | 4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)- BENZOIC ACID | H | 1MEX | 0.73 | ![]() |
MRE![]() | 2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID | A,B | 2V9C | 0.75 | ![]() |
PRQ![]() | (3S)-3-amino-3-(2-nitrophenyl)propanoic acid | C,F,I,L | 2VE6 | 0.72 | ![]() |
RNO![]() | (R)-PARA-NITROSTYRENE OXIDE | A,B,C,D | 1ZMT | 0.75 | ![]() |
ICU![]() | METHYL(2-ACETOXY-2-(2-CARBOXY-4- AMINO-PHENYL))ACETATE | A | 1JIM | 0.72 | ![]() |
NTD![]() | 2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE- 1,3-DIONE | A,B | 1T47 | 0.73 | ![]() |
DMB![]() | A,B | 1SRI | 0.73 | ![]() | |
OBA![]() | 2-(OXALYL-AMINO)-BENZOIC ACID | A | 1C85 | 0.72 | ![]() |
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 | ![]() |
OFL![]() | O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID | A | 1DVZ | 0.73 | ![]() |
ACJ![]() | 5-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY]- 2-NITROBENZOIC ACID | A,B | 2IVD | 0.7 | ![]() |
NID![]() | 4-NITRO-INDEN-1-ONE | A,B | 1DOH | 0.71 | ![]() |
MHB![]() | A,B | 1SRG | 0.74 | ![]() | |
B23![]() | 5-(2-NITROPHENYL)-2-FUROIC ACID | A | 2Q92 | 0.75 | ![]() |
SNO![]() | (S)-PARA-NITROSTYRENE OXIDE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 1ZO8 | 0.75 | ![]() |
3B4![]() | 2-(cyclohexylamino)benzoic acid | A,B | 3B4P | 0.73 | ![]() |
PAB![]() | 4-AMINOBENZOIC ACID | A | 1PBD | 0.73 | ![]() |
PAB![]() | 4-AMINOBENZOIC ACID | B | 2DZA | 0.73 | ![]() |
PAB![]() | 4-AMINOBENZOIC ACID | A | 1IUS | 0.73 | ![]() |
PAB![]() | 4-AMINOBENZOIC ACID | A | 1IUU | 0.73 | ![]() |
PAB![]() | 4-AMINOBENZOIC ACID | A | 1IUT | 0.73 | ![]() |
IBR![]() | A | 9EST | 0.72 | ![]() | |
BPN![]() | PARANITROBENZYL ALCOHOL | H,L | 1YEG | 0.71 | ![]() |
CFQ![]() | 1-(2-nitrophenyl)-2,2,2-trifluoroethyl]- arsenocholine | A,B | 2V97 | 0.78 | ![]() |
CFQ![]() | 1-(2-nitrophenyl)-2,2,2-trifluoroethyl]- arsenocholine | A,B | 2V98 | 0.78 | ![]() |
CFQ![]() | 1-(2-nitrophenyl)-2,2,2-trifluoroethyl]- arsenocholine | A,B | 2V96 | 0.78 | ![]() |
MAZ![]() | FORMIC ACID 3-AMINO-BENZYL ESTER | H,L | 1JYQ | 0.72 | ![]() |
SX1![]() | 2-amino-5-bromobenzoic acid | A,B | 3CIZ | 0.74 | ![]() |
XP1![]() | 4-(DIMETHYLAMINO)BENZOIC ACID | A,B | 2VJ1 | 0.72 | ![]() |
XP1![]() | 4-(DIMETHYLAMINO)BENZOIC ACID | A | 2V6N | 0.72 | ![]() |
FLF![]() | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A,B | 1BM7 | 0.72 | ![]() |
FLF![]() | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A | 1S2C | 0.72 | ![]() |
FLF![]() | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A | 2PIX | 0.72 | ![]() |
GAB![]() | 3-AMINOBENZOIC ACID | A,B,C,D,E,F | 2PQF | 0.74 | ![]() |
GAB![]() | 3-AMINOBENZOIC ACID | A,B | 3GSB | 0.74 | ![]() |
GAB![]() | 3-AMINOBENZOIC ACID | A,B,C | 1GBN | 0.74 | ![]() |
GAB![]() | 3-AMINOBENZOIC ACID | A | 3FHB | 0.74 | ![]() |
MNB![]() | 5-MERCAPTO-2-NITRO-BENZOIC ACID | A | 1F42 | 0.83 | ![]() |
MNB![]() | 5-MERCAPTO-2-NITRO-BENZOIC ACID | A | 1RXE | 0.83 | ![]() |
MNB![]() | 5-MERCAPTO-2-NITRO-BENZOIC ACID | A | 2PER | 0.83 | ![]() |
AAN![]() | 2-(4-NITROPHENYL)ACETIC ACID | B | 1AJN | 0.78 | ![]() |
KY1![]() | 4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID | A,B,C,D | 2CH2 | 0.73 | ![]() |
4MB![]() | 4-[(METHYLSULFONYL)AMINO]BENZOIC ACID | A,B | 2HDS | 0.73 | ![]() |
A41![]() | 5-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACID | A | 1YW7 | 0.73 | ![]() |
BZM![]() | BENZOIC ACID PHENYLMETHYLESTER | A,B | 1DZM | 0.71 | ![]() |