Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02213159
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 |
605 | 4'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl- 3-carboxamide | A,B | 3D4L | 0.78 | |
I06 | 2-PHENETHYL-2,3-DIHYDRO-PHTHALAZINE- 1,4-DIONE | D,E,F,G,H,L, M,N,O,P | 1EEF | 0.77 | |
DMW | 2,3-DIMETHYL-1,4-NAPHTHOQUINONE | A,B,C,D,E,F | 2BS4 | 0.78 | |
BBA | 2,7-BIS-(4-AMIDINOBENZYLIDENE)- CYCLOHEPTAN-1-ONE | A,B | 1A5H | 0.72 | |
BBA | 2,7-BIS-(4-AMIDINOBENZYLIDENE)- CYCLOHEPTAN-1-ONE | T | 1V2N | 0.72 | |
NFA | PHENYLALANINE AMIDE | A,B,C,D | 2BTJ | 0.71 | |
NFA | PHENYLALANINE AMIDE | A,B,C,D,E,F | 2EFX | 0.71 | |
NFA | PHENYLALANINE AMIDE | A,B,C,D | 2VVJ | 0.71 | |
NFA | PHENYLALANINE AMIDE | A | 2A4O | 0.71 | |
NFA | PHENYLALANINE AMIDE | A,B | 1XAE | 0.71 | |
NFA | PHENYLALANINE AMIDE | A,B,C,D | 2OGR | 0.71 | |
NFA | PHENYLALANINE AMIDE | A,B,C,D | 1QA7 | 0.71 | |
NFA | PHENYLALANINE AMIDE | A,B,C,D | 2GW4 | 0.71 | |
B2Y | 1-biphenyl-2-ylmethanamine | A,B,C,D | 3CCB | 0.74 | |
PQN | PHYLLOQUINONE | A,B,C,F,I,J, K,L,M,X | 1JB0 | 0.76 | |
PQN | PHYLLOQUINONE | 1,2,3,4,A,B, C,F,G,H,I,J, K,L | 2O01 | 0.76 | |
PQN | PHYLLOQUINONE | A,B,C,F,K,L | 2PPS | 0.76 | |
PQN | PHYLLOQUINONE | A,B,C,F,K,L | 1C51 | 0.76 | |
PQN | PHYLLOQUINONE | 0,1,2,3,4,5, 6,7,8,9,A,B, C,F,G,H,J,K, L,P,Q,R,U,V, W,Z | 1QZV | 0.76 | |
BZQ | DIPHENYLMETHANONE | A,B | 1GT5 | 0.8 | |
BZQ | DIPHENYLMETHANONE | A,B | 1DZP | 0.8 | |
APZ | 4-AMINOPHTHALHYDRAZIDE | A | 1ENU | 0.72 | |
AC0 | 1-PHENYLETHANONE | A | 1ZK1 | 0.75 | |
AC0 | 1-PHENYLETHANONE | A | 1ZK4 | 0.75 | |
U1N | 4-[(3R)-3-{[2-(4-FLUOROPHENYL)- 2-OXOETHYL]AMINO}BUTYL]BENZAMIDE | A,B | 2OGZ | 0.78 | |
RXA | isoquinoline-1,3,4(2H)-trione | A,B,C,D | 3DEH | 0.81 | |
LSA | 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1- DIOXIDE | A | 2Q1B | 0.71 | |
LSA | 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1- DIOXIDE | A | 2Q38 | 0.71 | |
HPQ | HOMOPHENYLALANINYLMETHANE | B | 1EWP | 0.72 | |
4PG | 1-[4-(2-oxo-2-phenylethyl)phenyl]guanidine | U | 2R2W | 0.7 | |
201 | 3-AMIDO-5-BIPHENYL-BENZOIC ACID | A | 2B0M | 0.72 | |
GK5 | N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)- 6-methylbiphenyl-3,4'-dicarboxamide | A | 3D7Z | 0.75 | |
R01 | (4'-{[ALLYL(METHYL)AMINO]METHYL}- 1,1'-BIPHENYL-4-YL)(4-BROMOPHENYL)METHANONE | A,B,C | 1H35 | 0.72 | |
SP8 | N-{(1S)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNS | 0.73 | |
HPK | (3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE | A | 2PUH | 0.71 | |
BP4 | BIPHENYL-4-YL-ACETALDEHYDE | A,B,E,F,G,H | 1MHW | 0.7 | |
NID | 4-NITRO-INDEN-1-ONE | A,B | 1DOH | 0.71 | |
FSB | N-(2-FLOURO-BENZYL)-4-SULFAMOYL- BENZAMIDE | A | 1G45 | 0.7 | |
FSB | N-(2-FLOURO-BENZYL)-4-SULFAMOYL- BENZAMIDE | A | 1G1D | 0.7 | |
FPB | N-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN- 2-YL}METHYL)BENZAMIDE | A,B | 2BUB | 0.71 | |
HBC | (2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT- 2-YL)-PHENYL-METHANONE | H | 1JGU | 0.79 | |
4AF | 4-ACETYL-L-PHENYLALANINE | A | 1ZH6 | 0.71 | |
MQ9 | MENAQUINONE-9 | C,H,L,M | 3D38 | 0.76 | |
MQ9 | MENAQUINONE-9 | C,H,L,M | 1VRN | 0.76 | |
MQ9 | MENAQUINONE-9 | C,H,L,M | 2I5N | 0.76 | |
MQ9 | MENAQUINONE-9 | C,H,L,M,U | 1DXR | 0.76 | |
PBF | PARA-(BENZOYL)-PHENYLALANINE | A | 2FR9 | 0.73 | |
PBF | PARA-(BENZOYL)-PHENYLALANINE | A,B | 1EEN | 0.73 | |
PBF | PARA-(BENZOYL)-PHENYLALANINE | A | 2HGZ | 0.73 | |
PBF | PARA-(BENZOYL)-PHENYLALANINE | A | 2FRB | 0.73 | |
E04 | 3-CARBOXAMIDO-1,3,5(10)-ESTRATRIEN- 17(R)-SPIRO-2'(5',5'-DIMETHYL-6'OXO)TETRAHYDROPYRAN | A | 1ZQ5 | 0.7 | |
KR2 | (2R)-4-(2-BENZOYL-1,2-DIAZEPAN- 1-YL)-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN- 2-AMINE | A,B | 2OLE | 0.71 | |
BHO | BENZHYDROXAMIC ACID | A,B | 1GX2 | 0.82 | |
BHO | BENZHYDROXAMIC ACID | A | 1HSR | 0.82 | |
BHO | BENZHYDROXAMIC ACID | A,B | 2ATJ | 0.82 | |
BHO | BENZHYDROXAMIC ACID | A,B | 4ATJ | 0.82 | |
BHO | BENZHYDROXAMIC ACID | A,B | 3ATJ | 0.82 | |
BHO | BENZHYDROXAMIC ACID | A | 3GCK | 0.82 | |
BHO | BENZHYDROXAMIC ACID | A,B,C,D,E,F, G,H | 2BOY | 0.82 | |
3AB | 3-aminobenzamide | A,B,C,D | 3GOY | 0.76 | |
SP9 | N-{(1R)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNT | 0.73 | |
9TA | 1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE | A,B | 1FDG | 0.81 | |
MQ7 | MENAQUINONE-7 | C,H,L,M | 1PRC | 0.76 | |
MQ7 | MENAQUINONE-7 | A,B,D,M,N,P | 2B76 | 0.76 | |
MQ7 | MENAQUINONE-7 | C,H,L,M | 5PRC | 0.76 | |
MQ7 | MENAQUINONE-7 | C,H,L,M | 7PRC | 0.76 | |
MQ7 | MENAQUINONE-7 | C,H,L,M | 2PRC | 0.76 | |
MQ7 | MENAQUINONE-7 | C,H,L,M | 1R2C | 0.76 | |
MQ7 | MENAQUINONE-7 | A,B,C,E,F,G | 2VPW | 0.76 | |
MQ7 | MENAQUINONE-7 | C,H,L,M | 3PRC | 0.76 | |
MQ7 | MENAQUINONE-7 | A,B,D,M,N,O,P | 1L0V | 0.76 | |
MQ7 | MENAQUINONE-7 | C,H,L,M | 2JBL | 0.76 | |
MQ7 | MENAQUINONE-7 | C,H,L,M | 6PRC | 0.76 | |
BSB | N-BENZYL-4-SULFAMOYL-BENZAMIDE | A | 1G4O | 0.72 | |
VK3 | MENADIONE | A | 1TUV | 0.78 | |
VK3 | MENADIONE | A,B | 2QR2 | 0.78 | |
BVA | TRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATE | B,C | 2P8O | 0.8 | |
INV | 4-(AMINOSULFONYL)-N-[(4-FLUOROPHENYL)METHYL]- BENZAMIDE | A | 1I9L | 0.7 | |
LEG | 1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE | A,B | 2PIN | 0.75 | |
4PI | N-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINE | A,B | 2NSD | 0.75 | |
NAM | NAM NAPTHYLAMINOALANINE | A,B,I,J | 3FIV | 0.74 | |
NAM | NAM NAPTHYLAMINOALANINE | A,B,I,J | 2FIV | 0.74 | |
ANQ | ACENAPHTHENEQUINONE | H,J | 1OAX | 0.75 | |
DHQ | 3,4-DIHYDRO-5-METHYL-ISOQUINOLINONE | A | 1PAX | 0.76 | |
MQ8 | MENAQUINONE 8 | C,H,L,M | 1EYS | 0.76 | |
PHM | PHENYLALANYLMETHANE | A,I | 1PJP | 0.72 | |
PHM | PHENYLALANYLMETHANE | A,B,C | 2J9J | 0.72 | |
PHM | PHENYLALANYLMETHANE | A,B,C | 2JE4 | 0.72 |