Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02342993
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 |
4NM | 4-NITROPHENYL METHANETHIOL | A,B | 2VO4 | 0.77 | |
XYD | 2,5-DIMETHYLANILINE | A,B,C,D | 1KYA | 0.74 | |
XYD | 2,5-DIMETHYLANILINE | A | 1L4L | 0.74 | |
PBZ | P-AMINO BENZAMIDINE | A,B | 2BDG | 0.7 | |
PBZ | P-AMINO BENZAMIDINE | A | 1RFN | 0.7 | |
PBZ | P-AMINO BENZAMIDINE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 2BDI | 0.7 | |
PBZ | P-AMINO BENZAMIDINE | A,B,C,D | 2BDH | 0.7 | |
PBZ | P-AMINO BENZAMIDINE | A | 1FIZ | 0.7 | |
PBZ | P-AMINO BENZAMIDINE | A | 1FIW | 0.7 | |
PBZ | P-AMINO BENZAMIDINE | H,L,T | 2A2Q | 0.7 | |
34A | 3,4-DIMETHYLANILINE | A | 1L4K | 0.75 | |
NPP | N-(2-AMINO-ETHYL)-4,6-DINITRO-N'- (2,2,6,6-TETRAMETHYL-1-OXY-PIPERIDIN- 4-YL)-BENZENE-1,3-DIAMINE | L | 1BAF | 0.76 | |
1MR | N-METHYLANILINE | X | 2OTZ | 0.73 | |
TNL | 2,4,6-TRINITROTOLUENE | A | 1GVR | 0.79 | |
DBP | 1,3-DIAMINOBENZYL PHENYLALANINE | A | 1A85 | 0.78 | |
NIN | DINITROPHENYLENE | A | 1RSM | 0.72 | |
NIN | DINITROPHENYLENE | A | 1GVY | 0.72 | |
NIN | DINITROPHENYLENE | A | 1GW1 | 0.72 | |
NP1 | N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE | A | 1WUG | 0.89 | |
RA4 | N-(4-NITROBENZOYL)-L-LEUCYL-N-(4- {[AMINO(IMINO)METHYL]AMINO}BUTYL)- L-PROLINAMIDE | H,I | 1YPM | 0.71 | |
DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QJU | 0.75 | |
DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QB4 | 0.75 | |
AU4 | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.77 | |
IDM | INDOLINE | A,B | 3CEP | 0.76 | |
IDM | INDOLINE | A | 1AEK | 0.76 | |
NPB | 3-NITROPHENYLBORONIC ACID | A,B | 1KDS | 0.72 | |
IS2 | [(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID | A | 1O4J | 0.73 | |
PRY | 2-PROPYL-ANILINE | A | 1OWY | 0.75 | |
CLC | N-ACETYL-P-NITROPHENYLSERINOL | A | 1GRR | 0.71 | |
IXX | 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)- N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q72 | 0.71 | |
ONP | O-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE | A | 1D0Y | 0.7 | |
SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A | 1C3S | 0.7 | |
SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A,B,C | 3C0Z | 0.7 | |
SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A | 1T69 | 0.7 | |
SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A,B,C,D | 1ZZ1 | 0.7 | |
BAN | HONH-BENZYLMALONYL-L-ALANYLGLYCINE- P-NITROANILIDE | A | 5TLN | 0.74 | |
SC5 | 2-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)- 1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE- 1,1-DIOL | H | 1YNK | 0.7 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELE | 0.72 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 7EST | 0.72 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 2EST | 0.72 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELD | 0.72 | |
UN6 | (3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]- METHYL}-PHENYL)-SULFAMIC ACID | A | 2F70 | 0.7 | |
PNZ | P-NITRO-BENZYLAMINE | A,D,H | 2HJ4 | 0.89 | |
PNZ | P-NITRO-BENZYLAMINE | A,B | 2C70 | 0.89 | |
HFT | HYDROXYFLUTAMIDE | A | 2AX6 | 0.73 | |
TSN | TRICHOSTATIN A | A,B | 1T64 | 0.71 | |
TSN | TRICHOSTATIN A | A,B | 1C3R | 0.71 | |
TSN | TRICHOSTATIN A | A,B,C | 3F0R | 0.71 | |
TSN | TRICHOSTATIN A | A,B,C | 3C10 | 0.71 | |
150 | 4,5-DIMETHYL-1,2-PHENYLENEDIAMINE | A | 1L4F | 0.72 | |
264 | (phenylamino)acetonitrile | A | 2RBN | 0.75 | |
PNQ | P-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE | A | 1D0Z | 0.73 | |
UFO | 1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin- 6-yl)methanamine | A,B,D | 3GQT | 0.75 | |
MNQ | M-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE | A | 1D0X | 0.71 | |
NYL | N-ALLYL-ANILINE | A | 1OVK | 0.75 | |
AAH | H | 1KEL | 0.73 | ||
AAH | B,H | 1FL6 | 0.73 | ||
BTM | N-benzyl-N,N-diethylethanaminium | A,B | 2Q9Y | 0.71 | |
PNC | PARA-NITROBENZYL GLUTARYL GLYCINIC ACID | L | 1YEF | 0.79 | |
NIT | 4-NITROANILINE | C,D | 1RMH | 0.77 | |
NIT | 4-NITROANILINE | A,B,D,F,G,H,I | 2IXP | 0.77 | |
NIT | 4-NITROANILINE | B | 1VBS | 0.77 | |
NIT | 4-NITROANILINE | C | 1V9T | 0.77 | |
NIT | 4-NITROANILINE | C,D | 1VBT | 0.77 | |
NIT | 4-NITROANILINE | B | 1LOP | 0.77 | |
NIT | 4-NITROANILINE | C,D | 1ZKF | 0.77 | |
NIT | 4-NITROANILINE | B | 1PIP | 0.77 | |
PND | P-NITROPHENYLHYDRAZINE | A,G | 1JMZ | 0.72 | |
FLM | 3-FLUORO-2-METHYL-ANILINE | A | 1OVJ | 0.73 | |
271 | N-methyl-1-phenylmethanamine | X | 2RBT | 0.73 | |
NBZ | NITROBENZENE | A,B | 2BMQ | 0.73 | |
NBZ | NITROBENZENE | A,B | 3BGU | 0.73 | |
TPM | 2-(4-AMINOBENZYLAMINO)-3,4,5,6- TETRAHYDROPYRIDINIUM | J,K,L | 1F3D | 0.76 | |
DOF | (S)-2-(4-NITROBENZYL)-1,4,7,10- TETRAAZACYCLODODECANE-N,N',N'',N'''- TETRAACETATE | A,B,C,D | 1NC4 | 0.74 | |
HNT | [(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN- 3-YL]METHANOL | A,B | 2G70 | 0.77 | |
PPN | PARA-NITROPHENYLALANINE | I | 1YTJ | 0.73 | |
NP2 | N-(3-AMINOPROPYL)-2-NITROBENZENAMINE | A | 1WUM | 0.81 | |
ISO | PARA-ISOPROPYLANILINE | A | 1BMA | 0.76 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELC | 0.76 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELB | 0.76 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELA | 0.76 | |
3NT | 3-NITROTOLUENE | A,B | 2BMR | 0.81 | |
3NT | 3-NITROTOLUENE | A,B | 2HMO | 0.81 | |
BHM | (R)-3-BROMO-2-HYDROXY-2-METHYL- N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE | A | 2AX9 | 0.7 | |
LO1 | [[4-(AMINOMETHYL)PHENYL]AMINO]OXO- ACETIC ACID, | A | 1WAX | 0.72 | |
UA5 | (4-ETHYLPHENYL)SULFAMIC ACID | A,B | 2I5X | 0.74 | |
TNS | A,B,L | 2G2R | 0.74 | ||
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | E,F,G,H | 1NJU | 0.71 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | Y,Z | 1JQ7 | 0.71 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | C | 1NKM | 0.71 |