Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01528059
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 |
9AP![]() | 9-AMINOPHENANTHRENE | A | 1EGY | 0.72 | ![]() |
G1L![]() | 3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE | A,B | 2I80 | 0.72 | ![]() |
BTM![]() | N-benzyl-N,N-diethylethanaminium | A,B | 2Q9Y | 0.7 | ![]() |
AEN![]() | 5-(1-SULFONAPHTHYL)-ACETYLAMINO- ETHYLAMINE | A | 1RAR | 0.7 | ![]() |
AEN![]() | 5-(1-SULFONAPHTHYL)-ACETYLAMINO- ETHYLAMINE | A | 1RAS | 0.7 | ![]() |
UFO![]() | 1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin- 6-yl)methanamine | A,B,D | 3GQT | 0.8 | ![]() |
5IQ![]() | ISOQUINOLIN-5-AMINE | A,B | 2F2T | 0.71 | ![]() |
NYL![]() | N-ALLYL-ANILINE | A | 1OVK | 0.82 | ![]() |
12Q![]() | 1-METHYLQUINOLIN-2(1H)-ONE | A,B | 2F64 | 0.72 | ![]() |
ANC![]() | ANTHRACEN-1-YLAMINE | A,B | 1GT1 | 0.72 | ![]() |
ANC![]() | ANTHRACEN-1-YLAMINE | A,B | 1HN2 | 0.72 | ![]() |
TPM![]() | 2-(4-AMINOBENZYLAMINO)-3,4,5,6- TETRAHYDROPYRIDINIUM | J,K,L | 1F3D | 0.74 | ![]() |
A8B![]() | A | 1ODC | 0.75 | ![]() | |
BAS![]() | N-(1-PHENYL-PROPYL)-FORMAMIDE | E,F,G,H | 1NJU | 0.72 | ![]() |
BAS![]() | N-(1-PHENYL-PROPYL)-FORMAMIDE | Y,Z | 1JQ7 | 0.72 | ![]() |
BAS![]() | N-(1-PHENYL-PROPYL)-FORMAMIDE | C | 1NKM | 0.72 | ![]() |
14W![]() | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A | 1QWC | 0.7 | ![]() |
14W![]() | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A,B | 1FOI | 0.7 | ![]() |
14W![]() | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A,B | 1QW5 | 0.7 | ![]() |
IDI![]() | 7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE | A,B | 1N7J | 0.72 | ![]() |
GA0![]() | GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDE | A | 2DCM | 0.71 | ![]() |
RSA![]() | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C73 | 0.74 | ![]() |
RSA![]() | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 1S2Y | 0.74 | ![]() |
RSA![]() | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C75 | 0.74 | ![]() |
RSA![]() | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C76 | 0.74 | ![]() |
RSA![]() | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C72 | 0.74 | ![]() |
LGD![]() | 6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]- 4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)- ONE | A | 2HVC | 0.75 | ![]() |
ISO![]() | PARA-ISOPROPYLANILINE | A | 1BMA | 0.78 | ![]() |
ISO![]() | PARA-ISOPROPYLANILINE | A,B | 1ELC | 0.78 | ![]() |
ISO![]() | PARA-ISOPROPYLANILINE | A,B | 1ELB | 0.78 | ![]() |
ISO![]() | PARA-ISOPROPYLANILINE | A,B | 1ELA | 0.78 | ![]() |
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 | ![]() |
IS2![]() | [(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID | A | 1O4J | 0.75 | ![]() |
SC5![]() | 2-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)- 1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE- 1,1-DIOL | H | 1YNK | 0.72 | ![]() |
FLM![]() | 3-FLUORO-2-METHYL-ANILINE | A | 1OVJ | 0.76 | ![]() |
IXX![]() | 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)- N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q72 | 0.79 | ![]() |
MNS![]() | 5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONAMIDE | A | 1OKL | 0.73 | ![]() |
EBW![]() | 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}- 3-OXOPENTYL)-N,N-DIMETHYL-N-PROP- 2-ENYLBENZENAMINIUM | A | 1E3Q | 0.72 | ![]() |
AU4![]() | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.82 | ![]() |
OCH![]() | QUINOLIN-2(1H)-ONE | A,B,C,D,E,F | 1Z03 | 0.73 | ![]() |
264![]() | (phenylamino)acetonitrile | A | 2RBN | 0.85 | ![]() |
DSM![]() | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QJU | 0.83 | ![]() |
DSM![]() | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QB4 | 0.83 | ![]() |
DR1![]() | 5-METHYL-5H-INDOLO[3,2-B]QUINOLINE | A | 1K9G | 0.72 | ![]() |
RAS![]() | N-PROPARGYL-1(R)-AMINONDAN | A,B | 2BK4 | 0.74 | ![]() |
RAS![]() | N-PROPARGYL-1(R)-AMINONDAN | A,B | 1S2Q | 0.74 | ![]() |
MGR![]() | MALACHITE GREEN | A,B | 3BQZ | 0.73 | ![]() |
MGR![]() | MALACHITE GREEN | A | 1Q8N | 0.73 | ![]() |
MGR![]() | MALACHITE GREEN | A,B | 3BR0 | 0.73 | ![]() |
MGR![]() | MALACHITE GREEN | A,D,E | 3BTL | 0.73 | ![]() |
MGR![]() | MALACHITE GREEN | A,B,D,E | 3BTC | 0.73 | ![]() |
MGR![]() | MALACHITE GREEN | A,B,D,E | 1JUP | 0.73 | ![]() |
271![]() | N-methyl-1-phenylmethanamine | X | 2RBT | 0.75 | ![]() |
URS![]() | N-PHENYLTHIOUREA | A,B | 1BUG | 0.71 | ![]() |
34T![]() | (3R)-8-(dioxidosulfanyl)-3-methyl- 1,2,3,4-tetrahydroquinoline | H | 1ETR | 0.73 | ![]() |
44B![]() | 1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2- TRIFLUOROETHYL)AMINO]PHENYL}PROPAN- 2-OL | A,B,C,D | 1PQ9 | 0.7 | ![]() |
DBP![]() | 1,3-DIAMINOBENZYL PHENYLALANINE | A | 1A85 | 0.81 | ![]() |
1MR![]() | N-METHYLANILINE | X | 2OTZ | 0.8 | ![]() |
PNZ![]() | P-NITRO-BENZYLAMINE | A,D,H | 2HJ4 | 0.71 | ![]() |
PNZ![]() | P-NITRO-BENZYLAMINE | A,B | 2C70 | 0.71 | ![]() |
221![]() | (2R,3R)-3-{[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO}- 2-CYANO-3-THIOXOPROPANAMIDE | A,B | 2IJN | 0.76 | ![]() |
LO1![]() | [[4-(AMINOMETHYL)PHENYL]AMINO]OXO- ACETIC ACID, | A | 1WAX | 0.74 | ![]() |
UA5![]() | (4-ETHYLPHENYL)SULFAMIC ACID | A,B | 2I5X | 0.72 | ![]() |
RM1![]() | N-METHYL-1(R)-AMINOINDAN | A,B | 2C67 | 0.76 | ![]() |
NP2![]() | N-(3-AMINOPROPYL)-2-NITROBENZENAMINE | A | 1WUM | 0.71 | ![]() |
NP1![]() | N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE | A | 1WUG | 0.79 | ![]() |
IDM![]() | INDOLINE | A,B | 3CEP | 0.86 | ![]() |
IDM![]() | INDOLINE | A | 1AEK | 0.86 | ![]() |
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 | ![]() |
PRY![]() | 2-PROPYL-ANILINE | A | 1OWY | 0.8 | ![]() |
171![]() | 2-PHENYLAMINO-ETHANESULFONIC ACID | A,B | 1SXG | 0.72 | ![]() |
150![]() | 4,5-DIMETHYL-1,2-PHENYLENEDIAMINE | A | 1L4F | 0.79 | ![]() |
AFF![]() | 2-ACETYLAMINOFLUORENE-3-YL | A | 2GE2 | 0.78 | ![]() |
PL0![]() | 1-phenylguanidine | A | 2O8W | 0.7 | ![]() |
CVI![]() | CRYSTAL VIOLET | A,B,D,E | 1JTX | 0.73 | ![]() |
34A![]() | 3,4-DIMETHYLANILINE | A | 1L4K | 0.81 | ![]() |
XYD![]() | 2,5-DIMETHYLANILINE | A,B,C,D | 1KYA | 0.79 | ![]() |
XYD![]() | 2,5-DIMETHYLANILINE | A | 1L4L | 0.79 | ![]() |