Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02319722
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 |
IAP | 4-IODO-ACETAMIDO PHENYLBORONIC ACID | A | 1S6R | 0.72 | |
IAP | 4-IODO-ACETAMIDO PHENYLBORONIC ACID | A,B | 1K6S | 0.72 | |
34A | 3,4-DIMETHYLANILINE | A | 1L4K | 0.74 | |
PHZ | 1-PHENYLHYDRAZINE | A | 2E2T | 0.77 | |
PHZ | 1-PHENYLHYDRAZINE | D,H | 2AGL | 0.77 | |
CLU | 2,6-DICHLORO-N-IMIDAZOLIDIN-2-YLIDENEANILINE | A,B,D,E | 2PNC | 0.7 | |
LJG | N,N'-(iminodiethane-2,1-diyl)bis[4- amino-N-(2-methylpropyl)benzenesulfonamide] | B | 3BGB | 0.71 | |
ISO | PARA-ISOPROPYLANILINE | A | 1BMA | 0.74 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELC | 0.74 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELB | 0.74 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELA | 0.74 | |
DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QJU | 0.73 | |
DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QB4 | 0.73 | |
1MR | N-METHYLANILINE | X | 2OTZ | 0.85 | |
T2D | 1,2,5-THIADIAZOLIDIN-3-ONE-1,1- DIOXIDE | A | 2BGE | 0.72 | |
PNZ | P-NITRO-BENZYLAMINE | A,D,H | 2HJ4 | 0.7 | |
PNZ | P-NITRO-BENZYLAMINE | A,B | 2C70 | 0.7 | |
1AN | 2-FLUOROANILINE | A | 1LGW | 0.78 | |
AU4 | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.75 | |
ASR | 4-AMINOPHENYLARSONIC ACID | A | 1N4F | 0.8 | |
NP2 | N-(3-AMINOPROPYL)-2-NITROBENZENAMINE | A | 1WUM | 0.74 | |
NYL | N-ALLYL-ANILINE | A | 1OVK | 0.87 | |
UFO | 1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin- 6-yl)methanamine | A,B,D | 3GQT | 0.71 | |
URS | N-PHENYLTHIOUREA | A,B | 1BUG | 0.74 | |
271 | N-methyl-1-phenylmethanamine | X | 2RBT | 0.71 | |
150 | 4,5-DIMETHYL-1,2-PHENYLENEDIAMINE | A | 1L4F | 0.72 | |
UA5 | (4-ETHYLPHENYL)SULFAMIC ACID | A,B | 2I5X | 0.7 | |
PRY | 2-PROPYL-ANILINE | A | 1OWY | 0.76 | |
FLM | 3-FLUORO-2-METHYL-ANILINE | A | 1OVJ | 0.74 | |
SAN | SULFANILAMIDE | A | 1AJ0 | 0.71 | |
U13 | 4-(4-FLUORO-PHENYLAZO)-5-IMINO- 5H-PYRAZOL-3-YLAMINE | A | 2GG3 | 0.71 | |
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 | |
PL0 | 1-phenylguanidine | A | 2O8W | 0.75 | |
171 | 2-PHENYLAMINO-ETHANESULFONIC ACID | A,B | 1SXG | 0.75 | |
ANL | ANILINE | A | 2OV4 | 0.81 | |
ANL | ANILINE | A | 1AEE | 0.81 | |
ANL | ANILINE | A | 1PPA | 0.81 | |
ANL | ANILINE | A | 1HJ9 | 0.81 | |
CIU | N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA | A,B | 1EK1 | 0.76 | |
CIU | N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA | A | 1VJ5 | 0.76 | |
IDM | INDOLINE | A,B | 3CEP | 0.74 | |
IDM | INDOLINE | A | 1AEK | 0.74 | |
264 | (phenylamino)acetonitrile | A | 2RBN | 0.86 | |
NBE | NITROSOBENZENE | A | 1LH7 | 0.73 | |
NBE | NITROSOBENZENE | A | 2LH7 | 0.73 | |
NBE | NITROSOBENZENE | A | 2NSS | 0.73 | |
TPM | 2-(4-AMINOBENZYLAMINO)-3,4,5,6- TETRAHYDROPYRIDINIUM | J,K,L | 1F3D | 0.76 | |
PTU | 2-ETHYL-1-PHENYL-ISOTHIOUREA | A,B | 1K2T | 0.77 | |
PTU | 2-ETHYL-1-PHENYL-ISOTHIOUREA | A,B | 1D1V | 0.77 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELE | 0.71 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 7EST | 0.71 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 2EST | 0.71 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELD | 0.71 | |
5AN | 3,5-DIFLUOROANILINE | A | 1LGX | 0.76 | |
XYD | 2,5-DIMETHYLANILINE | A,B,C,D | 1KYA | 0.76 | |
XYD | 2,5-DIMETHYLANILINE | A | 1L4L | 0.76 | |
DBP | 1,3-DIAMINOBENZYL PHENYLALANINE | A | 1A85 | 0.8 | |
BSU | 1,3-DIPHENYLUREA | A | 3E85 | 0.72 | |
BSU | 1,3-DIPHENYLUREA | A | 2ZJF | 0.72 | |
APB | M-AMINOPHENYLBORONIC ACID | A,B | 3BLS | 0.8 | |
NIT | 4-NITROANILINE | C,D | 1RMH | 0.73 | |
NIT | 4-NITROANILINE | A,B,D,F,G,H,I | 2IXP | 0.73 | |
NIT | 4-NITROANILINE | B | 1VBS | 0.73 | |
NIT | 4-NITROANILINE | C | 1V9T | 0.73 | |
NIT | 4-NITROANILINE | C,D | 1VBT | 0.73 | |
NIT | 4-NITROANILINE | B | 1LOP | 0.73 | |
NIT | 4-NITROANILINE | C,D | 1ZKF | 0.73 | |
NIT | 4-NITROANILINE | B | 1PIP | 0.73 | |
PHJ | N-[(AMINOOXY)CARBONYL]-N-PHENYLAMINE | A,B | 1UR9 | 0.73 |