Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02303150
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 |
DPK | DEPRENYL | A,B | 2BYB | 0.8 | |
1PC | 1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE | B,C | 2PCP | 0.89 | |
267 | 1-(azidomethyl)-3-methylbenzene | A | 2RBQ | 0.71 | |
CPU | A,B | 1CR6 | 0.75 | ||
14W | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A | 1QWC | 0.75 | |
14W | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A,B | 1FOI | 0.75 | |
14W | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A,B | 1QW5 | 0.75 | |
EOA | N-PHENETHYL-FORMAMIDE | H,I | 1A5G | 0.72 | |
DMX | 3-[BENZYL(DIMETHYL)AMMONIO]PROPANE- 1-SULFONATE | A,B,C,D | 1TP7 | 0.7 | |
PSS | ETHYLAMINOBENZYLMETHYLCARBONYL GROUP | A | 1EAG | 0.7 | |
SP8 | N-{(1S)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNS | 0.7 | |
BNF | N-BENZYLFORMAMIDE | A,B | 1U3U | 0.74 | |
NFP | 3-AMINO-5-PHENYLPENTANE | A | 1MEM | 0.78 | |
NFP | 3-AMINO-5-PHENYLPENTANE | A,D,E | 1FH0 | 0.78 | |
PEA | 2-PHENYLETHYLAMINE | A,B,E,F,G,H | 1MHW | 0.73 | |
PEA | 2-PHENYLETHYLAMINE | A | 1TNJ | 0.73 | |
PEA | 2-PHENYLETHYLAMINE | D,H | 2HKM | 0.73 | |
PEA | 2-PHENYLETHYLAMINE | A | 1UTO | 0.73 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6Y | 0.73 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6Z | 0.73 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6U | 0.73 | |
PEA | 2-PHENYLETHYLAMINE | A | 1UTM | 0.73 | |
PZQ | PRAZIQUANTEL | A | 1GTB | 0.7 | |
SRD | D-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID | B,C | 4VGC | 0.73 | |
F1H | N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide | A | 2ZJH | 0.76 | |
N5T | (2S)-4-(2,5-DIFLUOROPHENYL)-N,N- DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H- PYRROLE-1-CARBOXAMIDE | A,B | 2FL6 | 0.74 | |
4FP | 4-(4-FLUOROBENZYL)PIPERIDINE | A | 2OHN | 0.82 | |
PO0 | 1-BENZYL-(R)-PROPYLAMINE | A,I | 1LZQ | 0.76 | |
PO0 | 1-BENZYL-(R)-PROPYLAMINE | B,I | 1M0B | 0.76 | |
RAS | N-PROPARGYL-1(R)-AMINONDAN | A,B | 2BK4 | 0.79 | |
RAS | N-PROPARGYL-1(R)-AMINONDAN | A,B | 1S2Q | 0.79 | |
GVQ | (2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINE | A | 2UW8 | 0.72 | |
DHQ | 3,4-DIHYDRO-5-METHYL-ISOQUINOLINONE | A | 1PAX | 0.7 | |
DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QJU | 0.77 | |
DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QB4 | 0.77 | |
A8B | A | 1ODC | 0.72 | ||
SRE | (1S,4S)-4-(3,4-dichlorophenyl)- N-methyl-1,2,3,4-tetrahydronaphthalen- 1-amine | A | 3GWU | 0.79 | |
F1K | (2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine- 2-carboxamide | A,B,C | 2ZJK | 0.7 | |
37U | D-phenylalanyl-N-(3-fluorobenzyl)- L-prolinamide | H,I | 2ZDV | 0.71 | |
SKA | 7,8-DICHLORO-1,2,3,4-TETRAHYDROISOQUINOLINE | A,B | 1YZ3 | 0.72 | |
F1J | (2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine- 2-carboxamide | A | 2ZJJ | 0.7 | |
GK5 | N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)- 6-methylbiphenyl-3,4'-dicarboxamide | A | 3D7Z | 0.73 | |
53U | D-phenylalanyl-N-benzyl-L-prolinamide | H,I | 2ZFF | 0.73 | |
SRB | L-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID | B,C | 3VGC | 0.73 | |
271 | N-methyl-1-phenylmethanamine | X | 2RBT | 0.81 | |
TRJ | META-DI(AMINOMETHYL)BENZENE | A,I | 1GVV | 0.74 | |
TRJ | META-DI(AMINOMETHYL)BENZENE | A | 1FQ5 | 0.74 | |
2BF | ALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACID | A,B,C,D | 1ND5 | 0.77 | |
FBA | 4-FLUOROBENZYLAMINE | B,D,E | 1AFQ | 0.71 | |
FBA | 4-FLUOROBENZYLAMINE | A | 1TNH | 0.71 | |
B2Y | 1-biphenyl-2-ylmethanamine | A,B,C,D | 3CCB | 0.8 | |
44U | beta-phenyl-D-phenylalanyl-N-propyl- L-prolinamide | B,D | 3DA9 | 0.73 | |
ABN | BENZYLAMINE | D,H | 2HXC | 0.73 | |
ABN | BENZYLAMINE | A,I | 1A86 | 0.73 | |
ABN | BENZYLAMINE | A | 1UTN | 0.73 | |
ABN | BENZYLAMINE | A | 1N6X | 0.73 | |
ABN | BENZYLAMINE | A | 2BZA | 0.73 | |
ABN | BENZYLAMINE | A | 2EUS | 0.73 | |
ABN | BENZYLAMINE | A | 1N6Y | 0.73 | |
ABN | BENZYLAMINE | A | 1UTJ | 0.73 | |
S27 | N-[[2-METHYL-4-HYDROXYCARBAMOYL]BUT- 4-YL-N]-BENZYL-P-[PHENYL]-P-[METHYL]PHOSPHINAMID | A,B | 1B3D | 0.71 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C73 | 0.79 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 1S2Y | 0.79 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C75 | 0.79 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C76 | 0.79 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C72 | 0.79 | |
PHC | N-METHYL-N-(METHYLBENZYL)FORMAMIDE | A,B | 1BIM | 0.75 | |
PHC | N-METHYL-N-(METHYLBENZYL)FORMAMIDE | A,B | 1BIL | 0.75 | |
N4T | (1S)-1-CYCLOPROPYL-2-[(2S)-4-(2,5- DIFLUOROPHENYL)-2-PHENYL-2,5-DIHYDRO- 1H-PYRROL-1-YL]-2-OXOETHANAMINE | A,B | 2FL2 | 0.73 | |
BS2 | (3-ENDO,8-ANTI)-8-BENZYL-3-(10,11- DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN- 5-YLOXY)-8-AZONIABICYCLO[3.2.1]OCTANE | A,D,E | 2W8G | 0.7 | |
SMK | (3S,6S,7R,9aS)-6-{[(2S)-2-aminobutanoyl]amino}- 7-(2-aminoethyl)-N-(diphenylmethyl)- 5-oxooctahydro-1H-pyrrolo[1,2-a]azepine- 3-carboxamide | A,B | 3EYL | 0.7 | |
007 | 1-METHYLAMINE-1-BENZYL-CYCLOPENTANE | A,B,C,D | 2BUA | 0.72 | |
51U | D-phenylalanyl-N-(3-methylbenzyl)- L-prolinamide | H,I | 2ZF0 | 0.74 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBM | 0.71 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBD | 0.71 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1P06 | 0.71 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBI | 0.71 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 8LPR | 0.71 | |
PRA | 3-PHENYLPROPYLAMINE | A | 1TNK | 0.72 | |
PRA | 3-PHENYLPROPYLAMINE | M | 1UTL | 0.72 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,C | 2AOI | 0.76 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOF | 0.76 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOJ | 0.76 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOH | 0.76 | |
PBN | 4-PHENYLBUTYLAMINE | A | 1TNI | 0.72 | |
PBN | 4-PHENYLBUTYLAMINE | A | 1UTP | 0.72 | |
998 | N-METHYLALANYL-3-METHYLVALYL-N- (1,2,3,4-TETRAHYDRONAPHTHALEN-1- YL)PROLINAMIDE | A | 1TFQ | 0.71 | |
BHY | N,N'-[biphenyl-4,4'-diyldi(2R)propane- 2,1-diyl]dimethanesulfonamide | A,B | 3BBR | 0.73 | |
RMA | N-[(1S)-2,3-DIHYDRO-1H-INDEN-1- YL]-N-METHYL-N-PROP-2-YNYLAMINE | A,B | 1S3B | 0.76 | |
CVI | CRYSTAL VIOLET | A,B,D,E | 1JTX | 0.7 | |
L18 | (2S)-1-methyl-2-[(2S,4R)-2-methyl- 4-phenylpentyl]piperidine | A | 2JJG | 0.85 | |
RM1 | N-METHYL-1(R)-AMINOINDAN | A,B | 2C67 | 0.82 | |
TPA | TRANS-2-PHENYLCYCLOPROPYLAMINE | A | 1TNL | 0.77 | |
263 | 1-(azidomethyl)-3-methylbenzene | X | 2RB2 | 0.71 | |
BTM | N-benzyl-N,N-diethylethanaminium | A,B | 2Q9Y | 0.8 | |
UFO | 1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin- 6-yl)methanamine | A,B,D | 3GQT | 0.7 | |
U1N | 4-[(3R)-3-{[2-(4-FLUOROPHENYL)- 2-OXOETHYL]AMINO}BUTYL]BENZAMIDE | A,B | 2OGZ | 0.71 | |
SKF | 1,2,3,4-TETRAHYDRO-ISOQUINOLINE- 7-SULFONIC ACID AMIDE | A,B | 1HNN | 0.71 | |
N2T | (2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL- 2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO- 1H-PYRROLE-1-CARBOXAMIDE | A,B | 2FKY | 0.8 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | E,F,G,H | 1NJU | 0.79 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | Y,Z | 1JQ7 | 0.79 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | C | 1NKM | 0.79 | |
ISO | PARA-ISOPROPYLANILINE | A | 1BMA | 0.71 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELC | 0.71 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELB | 0.71 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELA | 0.71 | |
AU4 | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.79 | |
IDI | 7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE | A,B | 1N7J | 0.81 | |
SP9 | N-{(1R)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNT | 0.7 | |
IXX | 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)- N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q72 | 0.72 | |
JNH | 1-[2-(S)-AMINO-3-BIPHENYL-4-YL- PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE | I,J | 2AJL | 0.72 | |
MGR | MALACHITE GREEN | A,B | 3BQZ | 0.7 | |
MGR | MALACHITE GREEN | A | 1Q8N | 0.7 | |
MGR | MALACHITE GREEN | A,B | 3BR0 | 0.7 | |
MGR | MALACHITE GREEN | A,D,E | 3BTL | 0.7 | |
MGR | MALACHITE GREEN | A,B,D,E | 3BTC | 0.7 | |
MGR | MALACHITE GREEN | A,B,D,E | 1JUP | 0.7 | |
4PI | N-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINE | A,B | 2NSD | 0.74 | |
FTS | (3R)-3-(FLUOROMETHYL)-N-(3,3,3- TRIFLUOROPROPYL)-1,2,3,4-TETRAHYDROISOQUINOLINE- 7-SULFONAMIDE | A,B | 2G71 | 0.7 | |
008 | (S)-2-[(R)-3-AMINO-4-(2-FLUORO- PHENYL)-BUTYRYL]-1,2,3,4-TETRAHYDRO- ISOQUINOLINE-3-CARBOXYLIC ACID AMIDE | A,B,C,D | 2BUC | 0.73 | |
BAC | N-(4-IODO-BENZYL)-FORMAMIDE | A,B,C,D | 2WPO | 0.72 |