Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02396040
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 |
CIU![]() | N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA | A,B | 1EK1 | 0.77 | ![]() |
CIU![]() | N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA | A | 1VJ5 | 0.77 | ![]() |
ISO![]() | PARA-ISOPROPYLANILINE | A | 1BMA | 0.73 | ![]() |
ISO![]() | PARA-ISOPROPYLANILINE | A,B | 1ELC | 0.73 | ![]() |
ISO![]() | PARA-ISOPROPYLANILINE | A,B | 1ELB | 0.73 | ![]() |
ISO![]() | PARA-ISOPROPYLANILINE | A,B | 1ELA | 0.73 | ![]() |
XYD![]() | 2,5-DIMETHYLANILINE | A,B,C,D | 1KYA | 0.73 | ![]() |
XYD![]() | 2,5-DIMETHYLANILINE | A | 1L4L | 0.73 | ![]() |
NP2![]() | N-(3-AMINOPROPYL)-2-NITROBENZENAMINE | A | 1WUM | 0.75 | ![]() |
DBP![]() | 1,3-DIAMINOBENZYL PHENYLALANINE | A | 1A85 | 0.77 | ![]() |
EBW![]() | 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}- 3-OXOPENTYL)-N,N-DIMETHYL-N-PROP- 2-ENYLBENZENAMINIUM | A | 1E3Q | 0.73 | ![]() |
ANL![]() | ANILINE | A | 2OV4 | 0.72 | ![]() |
ANL![]() | ANILINE | A | 1AEE | 0.72 | ![]() |
ANL![]() | ANILINE | A | 1PPA | 0.72 | ![]() |
ANL![]() | ANILINE | A | 1HJ9 | 0.72 | ![]() |
IDM![]() | INDOLINE | A,B | 3CEP | 0.8 | ![]() |
IDM![]() | INDOLINE | A | 1AEK | 0.8 | ![]() |
LGD![]() | 6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]- 4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)- ONE | A | 2HVC | 0.7 | ![]() |
NP1![]() | N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE | A | 1WUG | 0.75 | ![]() |
IS2![]() | [(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID | A | 1O4J | 0.72 | ![]() |
RM1![]() | N-METHYL-1(R)-AMINOINDAN | A,B | 2C67 | 0.7 | ![]() |
TPM![]() | 2-(4-AMINOBENZYLAMINO)-3,4,5,6- TETRAHYDROPYRIDINIUM | J,K,L | 1F3D | 0.74 | ![]() |
T2D![]() | 1,2,5-THIADIAZOLIDIN-3-ONE-1,1- DIOXIDE | A | 2BGE | 0.73 | ![]() |
NYL![]() | N-ALLYL-ANILINE | A | 1OVK | 0.88 | ![]() |
LO1![]() | [[4-(AMINOMETHYL)PHENYL]AMINO]OXO- ACETIC ACID, | A | 1WAX | 0.71 | ![]() |
IXX![]() | 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)- N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q72 | 0.76 | ![]() |
IAP![]() | 4-IODO-ACETAMIDO PHENYLBORONIC ACID | A | 1S6R | 0.74 | ![]() |
IAP![]() | 4-IODO-ACETAMIDO PHENYLBORONIC ACID | A,B | 1K6S | 0.74 | ![]() |
264![]() | (phenylamino)acetonitrile | A | 2RBN | 0.87 | ![]() |
34A![]() | 3,4-DIMETHYLANILINE | A | 1L4K | 0.72 | ![]() |
SC5![]() | 2-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)- 1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE- 1,1-DIOL | H | 1YNK | 0.72 | ![]() |
ASR![]() | 4-AMINOPHENYLARSONIC ACID | A | 1N4F | 0.71 | ![]() |
FLM![]() | 3-FLUORO-2-METHYL-ANILINE | A | 1OVJ | 0.71 | ![]() |
171![]() | 2-PHENYLAMINO-ETHANESULFONIC ACID | A,B | 1SXG | 0.76 | ![]() |
1MR![]() | N-METHYLANILINE | X | 2OTZ | 0.86 | ![]() |
A8B![]() | A | 1ODC | 0.78 | ![]() | |
PRY![]() | 2-PROPYL-ANILINE | A | 1OWY | 0.74 | ![]() |
CVI![]() | CRYSTAL VIOLET | A,B,D,E | 1JTX | 0.72 | ![]() |
AU4![]() | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.83 | ![]() |
URS![]() | N-PHENYLTHIOUREA | A,B | 1BUG | 0.76 | ![]() |
APB![]() | M-AMINOPHENYLBORONIC ACID | A,B | 3BLS | 0.71 | ![]() |
PL0![]() | 1-phenylguanidine | A | 2O8W | 0.75 | ![]() |
BSU![]() | 1,3-DIPHENYLUREA | A | 3E85 | 0.74 | ![]() |
BSU![]() | 1,3-DIPHENYLUREA | A | 2ZJF | 0.74 | ![]() |
BEP![]() | 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE | C | 1LXF | 0.74 | ![]() |
BEP![]() | 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE | A | 1DTL | 0.74 | ![]() |
665![]() | (3S)-N-(3-BROMOPHENYL)-1-CYCLOHEXYL- 5-OXOPYRROLIDINE-3-CARBOXAMIDE | A | 2H7L | 0.7 | ![]() |
MGR![]() | MALACHITE GREEN | A,B | 3BQZ | 0.72 | ![]() |
MGR![]() | MALACHITE GREEN | A | 1Q8N | 0.72 | ![]() |
MGR![]() | MALACHITE GREEN | A,B | 3BR0 | 0.72 | ![]() |
MGR![]() | MALACHITE GREEN | A,D,E | 3BTL | 0.72 | ![]() |
MGR![]() | MALACHITE GREEN | A,B,D,E | 3BTC | 0.72 | ![]() |
MGR![]() | MALACHITE GREEN | A,B,D,E | 1JUP | 0.72 | ![]() |
UFO![]() | 1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin- 6-yl)methanamine | A,B,D | 3GQT | 0.78 | ![]() |
BL5![]() | A,B | 1RL4 | 0.73 | ![]() | |
271![]() | N-methyl-1-phenylmethanamine | X | 2RBT | 0.72 | ![]() |
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 | 0.74 | ![]() |
PHJ![]() | N-[(AMINOOXY)CARBONYL]-N-PHENYLAMINE | A,B | 1UR9 | 0.74 | ![]() |
566![]() | (3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE- 3-CARBOXAMIDE | A | 2H7I | 0.77 | ![]() |
SHH![]() | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A | 1C3S | 0.71 | ![]() |
SHH![]() | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A,B,C | 3C0Z | 0.71 | ![]() |
SHH![]() | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A | 1T69 | 0.71 | ![]() |
SHH![]() | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A,B,C,D | 1ZZ1 | 0.71 | ![]() |
DSM![]() | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QJU | 0.81 | ![]() |
DSM![]() | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QB4 | 0.81 | ![]() |
LJG![]() | N,N'-(iminodiethane-2,1-diyl)bis[4- amino-N-(2-methylpropyl)benzenesulfonamide] | B | 3BGB | 0.73 | ![]() |