Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02878514
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 |
TNL | 2,4,6-TRINITROTOLUENE | A | 1GVR | 0.71 | |
PPT | 3-(P-TOLYL)PROPIONIC ACID | A,B | 2AY4 | 0.7 | |
APD | 3-METHYLPHENYLALANINE | A,B,C | 1GMY | 0.71 | |
TPY | (2S,3S)-3-FORMYL-2-({[(4-NITROPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID | B | 1E36 | 0.71 | |
TPY | (2S,3S)-3-FORMYL-2-({[(4-NITROPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID | B | 1E37 | 0.71 | |
TPY | (2S,3S)-3-FORMYL-2-({[(4-NITROPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID | B | 1E38 | 0.71 | |
DNT | 2-[1-METHYLHEXYL]-4,6-DINITROPHENOL | A,B,C | 1NEN | 0.71 | |
5PV | 5-PHENYLVALERIC ACID | A,B | 2AY9 | 0.7 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A | 1OS0 | 0.72 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJI | 0.72 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJJ | 0.72 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 2VS2 | 0.72 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 1OD1 | 0.72 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | E | 1EPR | 0.72 | |
PNZ | P-NITRO-BENZYLAMINE | A,D,H | 2HJ4 | 0.7 | |
PNZ | P-NITRO-BENZYLAMINE | A,B | 2C70 | 0.7 | |
NIY | META-NITRO-TYROSINE | A | 2ADP | 0.75 | |
NIY | META-NITRO-TYROSINE | A | 3DIV | 0.75 | |
NIY | META-NITRO-TYROSINE | A | 2H5U | 0.75 | |
NIY | META-NITRO-TYROSINE | A | 1K4Q | 0.75 | |
NIY | META-NITRO-TYROSINE | B,G,O,Y | 1SDA | 0.75 | |
AAH | H | 1KEL | 0.76 | ||
AAH | B,H | 1FL6 | 0.76 | ||
AHC | 4-AMINOHYDROCINNAMIC ACID | A,B | 2AY1 | 0.84 | |
2UN | {4-[2-BENZYL-3-METHOXY-2-(METHOXYCARBONYL)- 3-OXOPROPYL]PHENYL}SULFAMIC ACID | A,B | 2H02 | 0.73 | |
MNB | 5-MERCAPTO-2-NITRO-BENZOIC ACID | A | 1F42 | 0.74 | |
MNB | 5-MERCAPTO-2-NITRO-BENZOIC ACID | A | 1RXE | 0.74 | |
MNB | 5-MERCAPTO-2-NITRO-BENZOIC ACID | A | 2PER | 0.74 | |
NID | 4-NITRO-INDEN-1-ONE | A,B | 1DOH | 0.75 | |
4NB | 4-NITROBENZOIC ACID | A,B | 3CHT | 0.79 | |
NTD | 2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE- 1,3-DIONE | A,B | 1T47 | 0.74 | |
CBL | CHLORAMBUCIL | A,B | 3CSJ | 0.73 | |
BPN | PARANITROBENZYL ALCOHOL | H,L | 1YEG | 0.73 | |
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 | |
PPN | PARA-NITROPHENYLALANINE | I | 1YTJ | 0.86 | |
DOF | (S)-2-(4-NITROBENZYL)-1,4,7,10- TETRAAZACYCLODODECANE-N,N',N'',N'''- TETRAACETATE | A,B,C,D | 1NC4 | 0.72 | |
4PH | 4-methyl-L-phenylalanine | B,C | 3BV9 | 0.71 | |
NPA | 2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID | H | 1NGP | 0.76 | |
PRQ | (3S)-3-amino-3-(2-nitrophenyl)propanoic acid | C,F,I,L | 2VE6 | 0.83 | |
4NM | 4-NITROPHENYL METHANETHIOL | A,B | 2VO4 | 0.71 | |
BE2 | 2-AMINOBENZOIC ACID | A,B,C,D,E,F, G,H | 1F8S | 0.7 | |
BE2 | 2-AMINOBENZOIC ACID | E,I | 1ZFP | 0.7 | |
BE2 | 2-AMINOBENZOIC ACID | A,B | 2HU8 | 0.7 | |
BE2 | 2-AMINOBENZOIC ACID | A,B | 1AN9 | 0.7 | |
BE2 | 2-AMINOBENZOIC ACID | A,B,C,D | 2GVQ | 0.7 | |
BE2 | 2-AMINOBENZOIC ACID | A,B | 2YR6 | 0.7 | |
BE2 | 2-AMINOBENZOIC ACID | A,I | 1E8N | 0.7 | |
BE2 | 2-AMINOBENZOIC ACID | A,B,C,D | 1ZYK | 0.7 | |
BE2 | 2-AMINOBENZOIC ACID | A | 1C0I | 0.7 | |
BE2 | 2-AMINOBENZOIC ACID | A,B | 2JB3 | 0.7 | |
BE2 | 2-AMINOBENZOIC ACID | A,B,C,D | 2E4A | 0.7 | |
PNC | PARA-NITROBENZYL GLUTARYL GLYCINIC ACID | L | 1YEF | 0.71 | |
TNS | A,B,L | 2G2R | 0.77 | ||
ZAB | (3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID | A,B | 2H3S | 0.76 | |
ZAB | (3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID | A,B,C,D | 2H4B | 0.76 | |
RPN | (R)-1-PARA-NITRO-PHENYL-2-AZIDO- ETHANOL | A,B,C,D | 1PX0 | 0.71 | |
RPN | (R)-1-PARA-NITRO-PHENYL-2-AZIDO- ETHANOL | A,B,C,D | 2ZHM | 0.71 | |
RPN | (R)-1-PARA-NITRO-PHENYL-2-AZIDO- ETHANOL | A | 2ZHN | 0.71 | |
PAB | 4-AMINOBENZOIC ACID | A | 1PBD | 0.7 | |
PAB | 4-AMINOBENZOIC ACID | B | 2DZA | 0.7 | |
PAB | 4-AMINOBENZOIC ACID | A | 1IUS | 0.7 | |
PAB | 4-AMINOBENZOIC ACID | A | 1IUU | 0.7 | |
PAB | 4-AMINOBENZOIC ACID | A | 1IUT | 0.7 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1K5S | 0.71 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1KEC | 0.71 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1K7D | 0.71 | |
53N | 3-[5-(3-nitrophenyl)thiophen-2- yl]propanoic acid | A | 3DN5 | 0.83 | |
MNP | 2-(3-NITROPHENYL)ACETIC ACID | B | 1AI5 | 0.89 | |
23N | (2R)-2-benzyl-3-nitropropanoic acid | A | 2RFH | 0.8 | |
EAB | (3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID | A,B | 2H3T | 0.76 | |
KY1 | 4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID | A,B,C,D | 2CH2 | 0.74 | |
GAB | 3-AMINOBENZOIC ACID | A,B,C,D,E,F | 2PQF | 0.73 | |
GAB | 3-AMINOBENZOIC ACID | A,B | 3GSB | 0.73 | |
GAB | 3-AMINOBENZOIC ACID | A,B,C | 1GBN | 0.73 | |
GAB | 3-AMINOBENZOIC ACID | A | 3FHB | 0.73 | |
AAN | 2-(4-NITROPHENYL)ACETIC ACID | B | 1AJN | 0.91 | |
3NT | 3-NITROTOLUENE | A,B | 2BMR | 0.76 | |
3NT | 3-NITROTOLUENE | A,B | 2HMO | 0.76 |