Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02551356
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 |
4A3 | 4-AMINO-3-HYDROXYBENZOIC ACID | A,B | 2HDR | 0.74 | |
AHC | 4-AMINOHYDROCINNAMIC ACID | A,B | 2AY1 | 0.72 | |
KY1 | 4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID | A,B,C,D | 2CH2 | 0.71 | |
BPN | PARANITROBENZYL ALCOHOL | H,L | 1YEG | 0.77 | |
EAB | (3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID | A,B | 2H3T | 0.74 | |
RPN | (R)-1-PARA-NITRO-PHENYL-2-AZIDO- ETHANOL | A,B,C,D | 1PX0 | 0.73 | |
RPN | (R)-1-PARA-NITRO-PHENYL-2-AZIDO- ETHANOL | A,B,C,D | 2ZHM | 0.73 | |
RPN | (R)-1-PARA-NITRO-PHENYL-2-AZIDO- ETHANOL | A | 2ZHN | 0.73 | |
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 | |
XP1 | 4-(DIMETHYLAMINO)BENZOIC ACID | A,B | 2VJ1 | 0.8 | |
XP1 | 4-(DIMETHYLAMINO)BENZOIC ACID | A | 2V6N | 0.8 | |
MNP | 2-(3-NITROPHENYL)ACETIC ACID | B | 1AI5 | 0.87 | |
MCG | (S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE | A,B | 1ISS | 0.72 | |
DMB | A,B | 1SRI | 0.7 | ||
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 | |
I3C | 5-amino-2,4,6-triiodobenzene-1,3- dicarboxylic acid | A | 3GT4 | 0.73 | |
I3C | 5-amino-2,4,6-triiodobenzene-1,3- dicarboxylic acid | A | 3E3T | 0.73 | |
I3C | 5-amino-2,4,6-triiodobenzene-1,3- dicarboxylic acid | A | 3E3D | 0.73 | |
I3C | 5-amino-2,4,6-triiodobenzene-1,3- dicarboxylic acid | A | 3E3S | 0.73 | |
I3C | 5-amino-2,4,6-triiodobenzene-1,3- dicarboxylic acid | A | 3E79 | 0.73 | |
BHA | 2-HYDROXY-4-AMINOBENZOIC ACID | A | 1PBC | 0.74 | |
BHA | 2-HYDROXY-4-AMINOBENZOIC ACID | A | 1PBF | 0.74 | |
BHA | 2-HYDROXY-4-AMINOBENZOIC ACID | A | 1SXK | 0.74 | |
ST6 | 4-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACID | A,B | 1INH | 0.73 | |
SNO | (S)-PARA-NITROSTYRENE OXIDE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 1ZO8 | 0.71 | |
NPC | 4-HYDROXY-3-NITROPHENYLACETYL-EPSILON- AMINOCAPROIC ACID ANION | H,I,J | 1A6V | 0.7 | |
ST4 | 4-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACID | A | 1INF | 0.7 | |
ICU | METHYL(2-ACETOXY-2-(2-CARBOXY-4- AMINO-PHENYL))ACETATE | A | 1JIM | 0.77 | |
OBA | 2-(OXALYL-AMINO)-BENZOIC ACID | A | 1C85 | 0.7 | |
4NB | 4-NITROBENZOIC ACID | A,B | 3CHT | 0.94 | |
4MB | 4-[(METHYLSULFONYL)AMINO]BENZOIC ACID | A,B | 2HDS | 0.8 | |
TYZ | PARA ACETAMIDO BENZOIC ACID | B,C | 2BNI | 0.77 | |
TYZ | PARA ACETAMIDO BENZOIC ACID | A | 1W5K | 0.77 | |
TYZ | PARA ACETAMIDO BENZOIC ACID | A | 1W5J | 0.77 | |
GAB | 3-AMINOBENZOIC ACID | A,B,C,D,E,F | 2PQF | 0.8 | |
GAB | 3-AMINOBENZOIC ACID | A,B | 3GSB | 0.8 | |
GAB | 3-AMINOBENZOIC ACID | A,B,C | 1GBN | 0.8 | |
GAB | 3-AMINOBENZOIC ACID | A | 3FHB | 0.8 | |
NID | 4-NITRO-INDEN-1-ONE | A,B | 1DOH | 0.74 | |
NPA | 2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID | H | 1NGP | 0.81 | |
BE2 | 2-AMINOBENZOIC ACID | A,B,C,D,E,F, G,H | 1F8S | 0.77 | |
BE2 | 2-AMINOBENZOIC ACID | E,I | 1ZFP | 0.77 | |
BE2 | 2-AMINOBENZOIC ACID | A,B | 2HU8 | 0.77 | |
BE2 | 2-AMINOBENZOIC ACID | A,B | 1AN9 | 0.77 | |
BE2 | 2-AMINOBENZOIC ACID | A,B,C,D | 2GVQ | 0.77 | |
BE2 | 2-AMINOBENZOIC ACID | A,B | 2YR6 | 0.77 | |
BE2 | 2-AMINOBENZOIC ACID | A,I | 1E8N | 0.77 | |
BE2 | 2-AMINOBENZOIC ACID | A,B,C,D | 1ZYK | 0.77 | |
BE2 | 2-AMINOBENZOIC ACID | A | 1C0I | 0.77 | |
BE2 | 2-AMINOBENZOIC ACID | A,B | 2JB3 | 0.77 | |
BE2 | 2-AMINOBENZOIC ACID | A,B,C,D | 2E4A | 0.77 | |
RNO | (R)-PARA-NITROSTYRENE OXIDE | A,B,C,D | 1ZMT | 0.71 | |
NTD | 2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE- 1,3-DIONE | A,B | 1T47 | 0.76 | |
HNA | 1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONE | A | 1M2P | 0.72 | |
MNB | 5-MERCAPTO-2-NITRO-BENZOIC ACID | A | 1F42 | 0.81 | |
MNB | 5-MERCAPTO-2-NITRO-BENZOIC ACID | A | 1RXE | 0.81 | |
MNB | 5-MERCAPTO-2-NITRO-BENZOIC ACID | A | 2PER | 0.81 | |
AAN | 2-(4-NITROPHENYL)ACETIC ACID | B | 1AJN | 0.84 | |
FDI | 4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACID | A | 1B9S | 0.74 | |
PAB | 4-AMINOBENZOIC ACID | A | 1PBD | 0.84 | |
PAB | 4-AMINOBENZOIC ACID | B | 2DZA | 0.84 | |
PAB | 4-AMINOBENZOIC ACID | A | 1IUS | 0.84 | |
PAB | 4-AMINOBENZOIC ACID | A | 1IUU | 0.84 | |
PAB | 4-AMINOBENZOIC ACID | A | 1IUT | 0.84 | |
A80 | N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO- NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID | A | 2CBR | 0.7 | |
PPN | PARA-NITROPHENYLALANINE | I | 1YTJ | 0.75 | |
201 | 3-AMIDO-5-BIPHENYL-BENZOIC ACID | A | 2B0M | 0.71 | |
U14 | 3-(5-AMINO-3-IMINO-3H-PYRAZOL-4- YLAZO)-BENZOIC ACID | A | 2GG7 | 0.73 | |
ST3 | 4-(ACETYLAMINO)-3-AMINO BENZOIC ACID | A,B | 1IVE | 0.74 | |
HAB | A,B | 1SRE | 0.71 | ||
ST5 | 4-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACID | A,B | 1ING | 0.71 | |
IBR | A | 9EST | 0.74 | ||
B23 | 5-(2-NITROPHENYL)-2-FUROIC ACID | A | 2Q92 | 0.72 | |
A05 | 5-(2-CHLORO-4-NITROPHENYL)-2-FUROIC ACID | A | 2Q95 | 0.72 | |
FLF | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A,B | 1BM7 | 0.7 | |
FLF | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A | 1S2C | 0.7 | |
FLF | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A | 2PIX | 0.7 | |
MR2 | 3-DIPHENOL-6-NITRO-3H-BENZO[DE]ISOCHROMEN- 1-ONE | A | 1TSM | 0.75 | |
MRE | 2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID | A,B | 2V9C | 0.71 | |
SX1 | 2-amino-5-bromobenzoic acid | A,B | 3CIZ | 0.72 | |
GBS | 4-GUANIDINOBENZOIC ACID | X | 2AH4 | 0.74 | |
GBS | 4-GUANIDINOBENZOIC ACID | A | 1GBT | 0.74 | |
GBS | 4-GUANIDINOBENZOIC ACID | A | 1RTK | 0.74 | |
GBS | 4-GUANIDINOBENZOIC ACID | A | 3DFL | 0.74 | |
MHB | A,B | 1SRG | 0.7 | ||
PRQ | (3S)-3-amino-3-(2-nitrophenyl)propanoic acid | C,F,I,L | 2VE6 | 0.76 |