Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03240028
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 |
PRL | PROFLAVIN | H,I | 1BCU | 0.75 | |
PRL | PROFLAVIN | A,B,D,E | 1QVT | 0.75 | |
PRL | PROFLAVIN | A,B | 2KD4 | 0.75 | |
PRL | PROFLAVIN | A | 1QVU | 0.75 | |
6IP | 6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN- 2-AMINE | A | 2OHP | 0.71 | |
855 | 2-(6-methylpyridin-2-yl)-N-pyridin- 4-ylquinazolin-4-amine | A | 3HMM | 0.71 | |
DEQ | DEQUALINIUM | A,B,D,E | 1JT6 | 0.71 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BR2 | 0.71 | |
DEQ | DEQUALINIUM | A | 1OYD | 0.71 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BT9 | 0.71 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BTJ | 0.71 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BR1 | 0.71 | |
5IQ | ISOQUINOLIN-5-AMINE | A,B | 2F2T | 0.71 | |
DPT | 4,7-DIMETHYL-[1,10]PHENANTHROLINE | A,B | 1I53 | 0.7 | |
RBS | N-(4-PHENYLAMINO-QUINAZOLIN-6-YL)- ACRYLAMIDE | A,B | 2HWO | 0.74 | |
LUM | LUMICHROME | A | 2CC6 | 0.73 | |
LUM | LUMICHROME | A,B | 1S4M | 0.73 | |
LUM | LUMICHROME | A | 2CC7 | 0.73 | |
LUM | LUMICHROME | A | 1HE5 | 0.73 | |
QNC | 2-CARBONYLQUINOLINE | A,B | 1MTB | 0.74 | |
QNC | 2-CARBONYLQUINOLINE | A,B | 2FGV | 0.74 | |
QNC | 2-CARBONYLQUINOLINE | I | 1IVQ | 0.74 | |
QNC | 2-CARBONYLQUINOLINE | A,B | 2FGU | 0.74 | |
QNC | 2-CARBONYLQUINOLINE | A | 1JLD | 0.74 | |
QNC | 2-CARBONYLQUINOLINE | A,B | 1HXB | 0.74 | |
QMS | N-(QUINOLIN-8-YL)METHANESULFONAMIDE | A | 2BB7 | 0.7 | |
D23 | 6-(3-AMINOPHENYL)-N-(TERT-BUTYL)- 2-(TRIFLUOROMETHYL)QUINAZOLIN-4- AMINE | A | 2B53 | 0.73 | |
MQU | 7-[2-METHOXY-1-(METHOXYMETHYL)ETHYL]- 7H-PYRROLO[3,2-F] QUINAZOLINE-1,3- DIAMINE | A,B | 1M7A | 0.71 | |
8AP | N~3~-BENZYLPYRIDINE-2,3-DIAMINE | A | 2OHM | 0.72 | |
A8N | N-9-(1',2',3',4'-TETRAHYDROACRIDINYL)- 1,8-DIAMINOOCTANE | A | 1UT6 | 0.71 | |
AS3 | 4-METHYL-6-PROPYLPYRIDIN-2-AMINE | A,B | 3E6N | 0.79 | |
6IG | 6-ETHYL-5-[1-(3-METHOXYPROPYL)- 1,2,3,4-TETRAHYDROQUINOLIN-7-YL]- N~4~-(2-PHENYLETHYL)PYRIMIDINE- 2,4-DIAMINE | A,B | 2G22 | 0.73 | |
LIY | 6-ETHYL-5-[(2S)-1-(3-METHOXYPROPYL)- 2-PHENYL-1,2,3,4-TETRAHYDROQUINOLIN- 7-YL]PYRIMIDINE-2,4-DIAMINE | A,B | 2IKU | 0.75 | |
AT2 | ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE- 1-CARBOXYLATE | A,B | 3E7S | 0.72 | |
AT2 | ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE- 1-CARBOXYLATE | A,B | 3E7M | 0.72 | |
AT2 | ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE- 1-CARBOXYLATE | A,B,C,D | 3E7G | 0.72 | |
PHN | 1,10-PHENANTHROLINE | A | 1LIH | 0.7 | |
PHN | 1,10-PHENANTHROLINE | A | 2LIG | 0.7 | |
PHN | 1,10-PHENANTHROLINE | A,B | 2FU7 | 0.7 | |
2IG | 6-ETHYL-5-[9-(3-METHOXYPROPYL)- 9H-CARBAZOL-2-YL]PYRIMIDINE-2,4- DIAMINE | A,B | 2G1O | 0.71 | |
1SQ | ISOQUINOLIN-1-AMINE | A | 2OHK | 0.76 | |
L1B | 7-(2,4-DIAMINO-6-ETHYLPYRIMIDIN- 5-YL)-1-(3-METHOXYPROPYL)QUINOLINIUM | A,B | 2G21 | 0.75 | |
TQ3 | 5-PHENYLSULFANYL-2,4-QUINAZOLINEDIAMINE | A,B | 1IA1 | 0.71 | |
QPP | N-(5-METHYL-1H-PYRAZOL-3-YL)-2- PHENYLQUINAZOLIN-4-AMINE | A,C | 2JC6 | 0.71 | |
CP7 | 6-ETHYL-5-PHENYLPYRIMIDINE-2,4- DIAMINE | A | 2BLC | 0.73 | |
CP7 | 6-ETHYL-5-PHENYLPYRIMIDINE-2,4- DIAMINE | A | 2BLB | 0.73 | |
THA | TACRINE | A,B | 2AOW | 0.77 | |
THA | TACRINE | A,B,C,D,E,F | 1MX1 | 0.77 | |
THA | TACRINE | A,B | 2AOX | 0.77 | |
THA | TACRINE | A | 1ACJ | 0.77 | |
PF7 | 4-(quinolin-3-ylmethyl)piperidine- 1-carboxylic acid | A,B | 2VYA | 0.75 | |
2AQ | QUINOLIN-2-AMINE | A | 2OHL | 0.87 | |
9AC | 9-ACRIDINECARBONYL | A,B,G,J,K,L,M | 1G3X | 0.74 | |
I40 | 9-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE | A | 1QON | 0.71 | |
TAQ | 2,4,6-TRIAMINOQUINAZOLINE | A,B,C,D,E,F, G,H | 1W0C | 0.78 | |
LIH | 6-([5-QUINOLYLAMINO]METHYL)-2,4- DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE | A | 1KMS | 0.7 | |
TQ4 | 5-[(4-METHYLPHENYL)SULFANYL]-2,4- QUINAZOLINEDIAMINE | A,B | 1IA2 | 0.72 | |
JI1 | 3-({(3S,4S)-4-[(6-aminopyridin- 2-yl)methyl]pyrrolidin-3-yl}amino)propan- 1-ol | A,B | 3B3M | 0.71 | |
NSC | N,N'-BIS(4-AMINO-2-METHYLQUINOLIN- 6-YL)UREA | A,B | 1PWP | 0.76 | |
AYM | 3-(6-AMINOPYRIDIN-3-YL)-N-METHYL- N-[(1-METHYL-1H-INDOL-2-YL)METHYL]ACRYLAMIDE | A,B | 1LXC | 0.71 | |
DX2 | 6-phenylpteridine-2,4,7-triamine | A,B,C,D | 3BME | 0.72 | |
RW1 | 4-phenylpyrimidine | A,B,C | 3B9S | 0.71 | |
OA4 | 5-methyl-6-phenylquinazoline-2,4- diamine | A | 2W6P | 0.76 | |
A91 | 3-({2-[(2-AMINO-6-METHYLPYRIMIDIN- 4-YL)ETHYNYL]BENZYL}AMINO)-1,3- OXAZOL-2(3H)-ONE | A | 2QG2 | 0.71 | |
760 | 9-(3-PHENYLMETHYLAMINO)-1,2,3,4- TETRAHYDROACRIDINE | A | 1DX4 | 0.72 | |
CLZ | 5-CHLORYL-2,4,6-QUINAZOLINETRIAMINE | A,B | 1M78 | 0.73 | |
JI2 | N-{(3S,4S)-4-[(6-aminopyridin-2- yl)methyl]pyrrolidin-3-yl}ethane- 1,2-diamine | A,B | 3B3N | 0.7 | |
JI2 | N-{(3S,4S)-4-[(6-aminopyridin-2- yl)methyl]pyrrolidin-3-yl}ethane- 1,2-diamine | A,B | 3DQR | 0.7 | |
IMB | [(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO- METHYL]-PHOSPHONIC ACID | A,B | 1T1R | 0.71 | |
TAB | ACETIC ACID N-[2-CHLORO-5-[6-ETHYL- 2,4-DIAMINO-PYRIMID-5-YL]-PHENYL]- [BENZYL-TRIAZEN-3-YL]ETHYL ESTER | A | 1VJ3 | 0.7 |