Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03334363
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 |
NPB | 3-NITROPHENYLBORONIC ACID | A,B | 1KDS | 0.84 | |
PPN | PARA-NITROPHENYLALANINE | I | 1YTJ | 0.71 | |
2CM | 2-CHLORO-6-METHYL-ANILINE | A | 1OVH | 0.72 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELE | 0.75 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 7EST | 0.75 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 2EST | 0.75 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELD | 0.75 | |
DOF | (S)-2-(4-NITROBENZYL)-1,4,7,10- TETRAAZACYCLODODECANE-N,N',N'',N'''- TETRAACETATE | A,B,C,D | 1NC4 | 0.71 | |
FLM | 3-FLUORO-2-METHYL-ANILINE | A | 1OVJ | 0.8 | |
NIT | 4-NITROANILINE | C,D | 1RMH | 0.81 | |
NIT | 4-NITROANILINE | A,B,D,F,G,H,I | 2IXP | 0.81 | |
NIT | 4-NITROANILINE | B | 1VBS | 0.81 | |
NIT | 4-NITROANILINE | C | 1V9T | 0.81 | |
NIT | 4-NITROANILINE | C,D | 1VBT | 0.81 | |
NIT | 4-NITROANILINE | B | 1LOP | 0.81 | |
NIT | 4-NITROANILINE | C,D | 1ZKF | 0.81 | |
NIT | 4-NITROANILINE | B | 1PIP | 0.81 | |
9AP | 9-AMINOPHENANTHRENE | A | 1EGY | 0.7 | |
NBE | NITROSOBENZENE | A | 1LH7 | 0.8 | |
NBE | NITROSOBENZENE | A | 2LH7 | 0.8 | |
NBE | NITROSOBENZENE | A | 2NSS | 0.8 | |
UA5 | (4-ETHYLPHENYL)SULFAMIC ACID | A,B | 2I5X | 0.8 | |
APB | M-AMINOPHENYLBORONIC ACID | A,B | 3BLS | 0.74 | |
PRY | 2-PROPYL-ANILINE | A | 1OWY | 0.85 | |
BPN | PARANITROBENZYL ALCOHOL | H,L | 1YEG | 0.75 | |
RPN | (R)-1-PARA-NITRO-PHENYL-2-AZIDO- ETHANOL | A,B,C,D | 1PX0 | 0.72 | |
RPN | (R)-1-PARA-NITRO-PHENYL-2-AZIDO- ETHANOL | A,B,C,D | 2ZHM | 0.72 | |
RPN | (R)-1-PARA-NITRO-PHENYL-2-AZIDO- ETHANOL | A | 2ZHN | 0.72 | |
RNO | (R)-PARA-NITROSTYRENE OXIDE | A,B,C,D | 1ZMT | 0.74 | |
NID | 4-NITRO-INDEN-1-ONE | A,B | 1DOH | 0.76 | |
ISO | PARA-ISOPROPYLANILINE | A | 1BMA | 0.8 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELC | 0.8 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELB | 0.8 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELA | 0.8 | |
MNP | 2-(3-NITROPHENYL)ACETIC ACID | B | 1AI5 | 0.72 | |
ANC | ANTHRACEN-1-YLAMINE | A,B | 1GT1 | 0.71 | |
ANC | ANTHRACEN-1-YLAMINE | A,B | 1HN2 | 0.71 | |
AAN | 2-(4-NITROPHENYL)ACETIC ACID | B | 1AJN | 0.75 | |
NIN | DINITROPHENYLENE | A | 1RSM | 0.81 | |
NIN | DINITROPHENYLENE | A | 1GVY | 0.81 | |
NIN | DINITROPHENYLENE | A | 1GW1 | 0.81 | |
IS2 | [(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID | A | 1O4J | 0.71 | |
ASR | 4-AMINOPHENYLARSONIC ACID | A | 1N4F | 0.74 | |
XYD | 2,5-DIMETHYLANILINE | A,B,C,D | 1KYA | 0.82 | |
XYD | 2,5-DIMETHYLANILINE | A | 1L4L | 0.82 | |
PBZ | P-AMINO BENZAMIDINE | A,B | 2BDG | 0.71 | |
PBZ | P-AMINO BENZAMIDINE | A | 1RFN | 0.71 | |
PBZ | P-AMINO BENZAMIDINE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 2BDI | 0.71 | |
PBZ | P-AMINO BENZAMIDINE | A,B,C,D | 2BDH | 0.71 | |
PBZ | P-AMINO BENZAMIDINE | A | 1FIZ | 0.71 | |
PBZ | P-AMINO BENZAMIDINE | A | 1FIW | 0.71 | |
PBZ | P-AMINO BENZAMIDINE | H,L,T | 2A2Q | 0.71 | |
259 | 1-(methylsulfanyl)-4-nitrobenzene | X | 2RAZ | 0.76 | |
ANL | ANILINE | A | 2OV4 | 0.71 | |
ANL | ANILINE | A | 1AEE | 0.71 | |
ANL | ANILINE | A | 1PPA | 0.71 | |
ANL | ANILINE | A | 1HJ9 | 0.71 | |
SNO | (S)-PARA-NITROSTYRENE OXIDE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 1ZO8 | 0.74 | |
DBP | 1,3-DIAMINOBENZYL PHENYLALANINE | A | 1A85 | 0.76 | |
34A | 3,4-DIMETHYLANILINE | A | 1L4K | 0.8 | |
PNZ | P-NITRO-BENZYLAMINE | A,D,H | 2HJ4 | 0.88 | |
PNZ | P-NITRO-BENZYLAMINE | A,B | 2C70 | 0.88 | |
4NM | 4-NITROPHENYL METHANETHIOL | A,B | 2VO4 | 0.87 | |
150 | 4,5-DIMETHYL-1,2-PHENYLENEDIAMINE | A | 1L4F | 0.76 | |
3NT | 3-NITROTOLUENE | A,B | 2BMR | 0.94 | |
3NT | 3-NITROTOLUENE | A,B | 2HMO | 0.94 | |
PND | P-NITROPHENYLHYDRAZINE | A,G | 1JMZ | 0.75 | |
TNL | 2,4,6-TRINITROTOLUENE | A | 1GVR | 0.89 | |
NBZ | NITROBENZENE | A,B | 2BMQ | 0.86 | |
NBZ | NITROBENZENE | A,B | 3BGU | 0.86 | |
CFQ | 1-(2-nitrophenyl)-2,2,2-trifluoroethyl]- arsenocholine | A,B | 2V97 | 0.75 | |
CFQ | 1-(2-nitrophenyl)-2,2,2-trifluoroethyl]- arsenocholine | A,B | 2V98 | 0.75 | |
CFQ | 1-(2-nitrophenyl)-2,2,2-trifluoroethyl]- arsenocholine | A,B | 2V96 | 0.75 | |
NP1 | N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE | A | 1WUG | 0.76 |