Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02395482
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 |
ANL![]() | ANILINE | A | 2OV4 | 0.77 | ![]() |
ANL![]() | ANILINE | A | 1AEE | 0.77 | ![]() |
ANL![]() | ANILINE | A | 1PPA | 0.77 | ![]() |
ANL![]() | ANILINE | A | 1HJ9 | 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 | ![]() |
DR1![]() | 5-METHYL-5H-INDOLO[3,2-B]QUINOLINE | A | 1K9G | 0.71 | ![]() |
URS![]() | N-PHENYLTHIOUREA | A,B | 1BUG | 0.78 | ![]() |
PHJ![]() | N-[(AMINOOXY)CARBONYL]-N-PHENYLAMINE | A,B | 1UR9 | 0.76 | ![]() |
T2D![]() | 1,2,5-THIADIAZOLIDIN-3-ONE-1,1- DIOXIDE | A | 2BGE | 0.77 | ![]() |
4ND![]() | N4-(N,N-DIPHENYLCARBAMOYL)-AMINOGUANIDINE | H,I | 1NO9 | 0.7 | ![]() |
PRY![]() | 2-PROPYL-ANILINE | A | 1OWY | 0.72 | ![]() |
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 | ![]() |
12Q![]() | 1-METHYLQUINOLIN-2(1H)-ONE | A,B | 2F64 | 0.73 | ![]() |
IDM![]() | INDOLINE | A,B | 3CEP | 0.76 | ![]() |
IDM![]() | INDOLINE | A | 1AEK | 0.76 | ![]() |
BTM![]() | N-benzyl-N,N-diethylethanaminium | A,B | 2Q9Y | 0.73 | ![]() |
CIU![]() | N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA | A,B | 1EK1 | 0.74 | ![]() |
CIU![]() | N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA | A | 1VJ5 | 0.74 | ![]() |
UFO![]() | 1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin- 6-yl)methanamine | A,B,D | 3GQT | 0.76 | ![]() |
BSU![]() | 1,3-DIPHENYLUREA | A | 3E85 | 0.76 | ![]() |
BSU![]() | 1,3-DIPHENYLUREA | A | 2ZJF | 0.76 | ![]() |
1AN![]() | 2-FLUOROANILINE | A | 1LGW | 0.74 | ![]() |
BEP![]() | 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE | C | 1LXF | 0.71 | ![]() |
BEP![]() | 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE | A | 1DTL | 0.71 | ![]() |
264![]() | (phenylamino)acetonitrile | A | 2RBN | 0.88 | ![]() |
CXX![]() | 3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q6H | 0.71 | ![]() |
CXX![]() | 3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N,N-DIMETHYLPROPAN-1-AMINE | A | 2QEI | 0.71 | ![]() |
171![]() | 2-PHENYLAMINO-ETHANESULFONIC ACID | A,B | 1SXG | 0.76 | ![]() |
DBP![]() | 1,3-DIAMINOBENZYL PHENYLALANINE | A | 1A85 | 0.73 | ![]() |
5AN![]() | 3,5-DIFLUOROANILINE | A | 1LGX | 0.72 | ![]() |
APB![]() | M-AMINOPHENYLBORONIC ACID | A,B | 3BLS | 0.75 | ![]() |
NP1![]() | N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE | A | 1WUG | 0.7 | ![]() |
IXX![]() | 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)- N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q72 | 0.79 | ![]() |
PHZ![]() | 1-PHENYLHYDRAZINE | A | 2E2T | 0.73 | ![]() |
PHZ![]() | 1-PHENYLHYDRAZINE | D,H | 2AGL | 0.73 | ![]() |
OSP![]() | SULTHIAME | A | 2Q1Q | 0.74 | ![]() |
PTU![]() | 2-ETHYL-1-PHENYL-ISOTHIOUREA | A,B | 1K2T | 0.71 | ![]() |
PTU![]() | 2-ETHYL-1-PHENYL-ISOTHIOUREA | A,B | 1D1V | 0.71 | ![]() |
AU4![]() | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.78 | ![]() |
MGR![]() | MALACHITE GREEN | A,B | 3BQZ | 0.74 | ![]() |
MGR![]() | MALACHITE GREEN | A | 1Q8N | 0.74 | ![]() |
MGR![]() | MALACHITE GREEN | A,B | 3BR0 | 0.74 | ![]() |
MGR![]() | MALACHITE GREEN | A,D,E | 3BTL | 0.74 | ![]() |
MGR![]() | MALACHITE GREEN | A,B,D,E | 3BTC | 0.74 | ![]() |
MGR![]() | MALACHITE GREEN | A,B,D,E | 1JUP | 0.74 | ![]() |
NYL![]() | N-ALLYL-ANILINE | A | 1OVK | 0.89 | ![]() |
NIT![]() | 4-NITROANILINE | C,D | 1RMH | 0.7 | ![]() |
NIT![]() | 4-NITROANILINE | A,B,D,F,G,H,I | 2IXP | 0.7 | ![]() |
NIT![]() | 4-NITROANILINE | B | 1VBS | 0.7 | ![]() |
NIT![]() | 4-NITROANILINE | C | 1V9T | 0.7 | ![]() |
NIT![]() | 4-NITROANILINE | C,D | 1VBT | 0.7 | ![]() |
NIT![]() | 4-NITROANILINE | B | 1LOP | 0.7 | ![]() |
NIT![]() | 4-NITROANILINE | C,D | 1ZKF | 0.7 | ![]() |
NIT![]() | 4-NITROANILINE | B | 1PIP | 0.7 | ![]() |
ASR![]() | 4-AMINOPHENYLARSONIC ACID | A | 1N4F | 0.75 | ![]() |
IAP![]() | 4-IODO-ACETAMIDO PHENYLBORONIC ACID | A | 1S6R | 0.76 | ![]() |
IAP![]() | 4-IODO-ACETAMIDO PHENYLBORONIC ACID | A,B | 1K6S | 0.76 | ![]() |
CVI![]() | CRYSTAL VIOLET | A,B,D,E | 1JTX | 0.74 | ![]() |
NP2![]() | N-(3-AMINOPROPYL)-2-NITROBENZENAMINE | A | 1WUM | 0.76 | ![]() |
PL0![]() | 1-phenylguanidine | A | 2O8W | 0.77 | ![]() |
XYD![]() | 2,5-DIMETHYLANILINE | A,B,C,D | 1KYA | 0.71 | ![]() |
XYD![]() | 2,5-DIMETHYLANILINE | A | 1L4L | 0.71 | ![]() |
NBE![]() | NITROSOBENZENE | A | 1LH7 | 0.75 | ![]() |
NBE![]() | NITROSOBENZENE | A | 2LH7 | 0.75 | ![]() |
NBE![]() | NITROSOBENZENE | A | 2NSS | 0.75 | ![]() |
566![]() | (3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE- 3-CARBOXAMIDE | A | 2H7I | 0.7 | ![]() |
1MR![]() | N-METHYLANILINE | X | 2OTZ | 0.87 | ![]() |
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 | ![]() |
NBZ![]() | NITROBENZENE | A,B | 2BMQ | 0.7 | ![]() |
NBZ![]() | NITROBENZENE | A,B | 3BGU | 0.7 | ![]() |