Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03811174
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 |
V36 | L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID | B,C | 1VGC | 0.76 | |
FBA | 4-FLUOROBENZYLAMINE | B,D,E | 1AFQ | 0.7 | |
FBA | 4-FLUOROBENZYLAMINE | A | 1TNH | 0.7 | |
FPA | 1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDE | E,I | 4EST | 0.82 | |
N5T | (2S)-4-(2,5-DIFLUOROPHENYL)-N,N- DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H- PYRROLE-1-CARBOXAMIDE | A,B | 2FL6 | 0.75 | |
14W | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A | 1QWC | 0.73 | |
14W | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A,B | 1FOI | 0.73 | |
14W | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A,B | 1QW5 | 0.73 | |
PLH | METHYLAMINO-PHENYLALANYL-LEUCYL- HYDROXAMIC ACID | A | 1HFC | 0.72 | |
PLH | METHYLAMINO-PHENYLALANYL-LEUCYL- HYDROXAMIC ACID | A | 1MNC | 0.72 | |
M25 | N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE | A,B | 2NMX | 0.76 | |
M25 | N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE | A | 2NNS | 0.76 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C73 | 0.7 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 1S2Y | 0.7 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C75 | 0.7 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C76 | 0.7 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C72 | 0.7 | |
IPP | (P-IODOPHENYLACETYLAMINO)METHYLPHOSPHINIC ACID | A,B | 1BLS | 0.7 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBM | 0.78 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBD | 0.78 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1P06 | 0.78 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBI | 0.78 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 8LPR | 0.78 | |
DI5 | AC-(D)PHE-PRO-BOROHOMOORNITHINE- OH | H | 1LHG | 0.72 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,C | 2AOI | 0.78 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOF | 0.78 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOJ | 0.78 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOH | 0.78 | |
SB7 | [HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL | A | 2AI7 | 0.72 | |
SB7 | [HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL | A,B,C | 2AI8 | 0.72 | |
N2T | (2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL- 2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO- 1H-PYRROLE-1-CARBOXAMIDE | A,B | 2FKY | 0.77 | |
CPU | A,B | 1CR6 | 0.93 | ||
LHY | L-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINE | A,B,D,E | 1HEE | 0.71 | |
RM1 | N-METHYL-1(R)-AMINOINDAN | A,B | 2C67 | 0.74 | |
263 | 1-(azidomethyl)-3-methylbenzene | X | 2RB2 | 0.7 | |
271 | N-methyl-1-phenylmethanamine | X | 2RBT | 0.79 | |
MN2 | 1-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENE | N | 1NLO | 0.71 | |
ING | D-[(AMINO)CARBONYL]PHENYLALANINE | A,B | 1UF8 | 0.73 | |
ING | D-[(AMINO)CARBONYL]PHENYLALANINE | A,B,D,E | 1HDU | 0.73 | |
TRJ | META-DI(AMINOMETHYL)BENZENE | A,I | 1GVV | 0.73 | |
TRJ | META-DI(AMINOMETHYL)BENZENE | A | 1FQ5 | 0.73 | |
DPK | DEPRENYL | A,B | 2BYB | 0.76 | |
B2Y | 1-biphenyl-2-ylmethanamine | A,B,C,D | 3CCB | 0.7 | |
PRA | 3-PHENYLPROPYLAMINE | A | 1TNK | 0.8 | |
PRA | 3-PHENYLPROPYLAMINE | M | 1UTL | 0.8 | |
5FH | (5S)-5-benzylimidazolidine-2,4- dione | A | 2JLO | 0.77 | |
PBN | 4-PHENYLBUTYLAMINE | A | 1TNI | 0.8 | |
PBN | 4-PHENYLBUTYLAMINE | A | 1UTP | 0.8 | |
BAC | N-(4-IODO-BENZYL)-FORMAMIDE | A,B,C,D | 2WPO | 0.79 | |
HPQ | HOMOPHENYLALANINYLMETHANE | B | 1EWP | 0.72 | |
BTM | N-benzyl-N,N-diethylethanaminium | A,B | 2Q9Y | 0.74 | |
L18 | (2S)-1-methyl-2-[(2S,4R)-2-methyl- 4-phenylpentyl]piperidine | A | 2JJG | 0.71 | |
TTX | TENTOXIN | B | 1KMH | 0.71 | |
FAF | 2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1- FORMYL-2-PHENYL-ETHYL)-AMIDE | B,C | 1GGD | 0.74 | |
MIN | METHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINE | H,I | 1TOM | 0.7 | |
PSS | ETHYLAMINOBENZYLMETHYLCARBONYL GROUP | A | 1EAG | 0.73 | |
SP8 | N-{(1S)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNS | 0.73 | |
412 | (R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2- DIOXABOROLAN-2-YL)PHENETHYL)GUANIDINE | A | 1ZML | 0.73 | |
IDI | 7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE | A,B | 1N7J | 0.7 | |
267 | 1-(azidomethyl)-3-methylbenzene | A | 2RBQ | 0.7 | |
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 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | E,F,G,H | 1NJU | 0.83 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | Y,Z | 1JQ7 | 0.83 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | C | 1NKM | 0.83 | |
INF | D-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINE | A | 1HDQ | 0.71 | |
SRB | L-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID | B,C | 3VGC | 0.76 | |
BNF | N-BENZYLFORMAMIDE | A,B | 1U3U | 0.82 | |
TPA | TRANS-2-PHENYLCYCLOPROPYLAMINE | A | 1TNL | 0.73 | |
LPF | 1,1,1-TRIFLUORO-3-((N-ACETYL)-L- LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N- ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE) | G | 7GCH | 0.72 | |
V35 | D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID | B,C | 2VGC | 0.76 | |
HIN | (2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL- CHLOROETHYLKETONE | B | 2GMT | 0.7 | |
SP9 | N-{(1R)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNT | 0.73 | |
F1H | N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide | A | 2ZJH | 0.7 | |
4FP | 4-(4-FLUOROBENZYL)PIPERIDINE | A | 2OHN | 0.78 | |
EOA | N-PHENETHYL-FORMAMIDE | H,I | 1A5G | 0.88 | |
PPH | [(1R)-1-amino-2-phenylethyl]phosphonic acid | A | 1OS0 | 0.72 | |
PPH | [(1R)-1-amino-2-phenylethyl]phosphonic acid | E,I | 4TMN | 0.72 | |
PPH | [(1R)-1-amino-2-phenylethyl]phosphonic acid | S | 1CGH | 0.72 | |
PEA | 2-PHENYLETHYLAMINE | A,B,E,F,G,H | 1MHW | 0.79 | |
PEA | 2-PHENYLETHYLAMINE | A | 1TNJ | 0.79 | |
PEA | 2-PHENYLETHYLAMINE | D,H | 2HKM | 0.79 | |
PEA | 2-PHENYLETHYLAMINE | A | 1UTO | 0.79 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6Y | 0.79 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6Z | 0.79 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6U | 0.79 | |
PEA | 2-PHENYLETHYLAMINE | A | 1UTM | 0.79 | |
PO0 | 1-BENZYL-(R)-PROPYLAMINE | A,I | 1LZQ | 0.78 | |
PO0 | 1-BENZYL-(R)-PROPYLAMINE | B,I | 1M0B | 0.78 | |
APL | N-(1-BENZYL-3,3,3-TRIFLUORO-2,2- DIHYDROXY-PROPYL)-ACETAMIDE | B,C | 1GG6 | 0.71 | |
APE | (1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACID | E,I | 1SCN | 0.85 | |
DI4 | AC-(D)PHE-PRO-BOROHOMOLYS-OH | H | 1LHF | 0.71 | |
APF | 1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN- 2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE) | B,C | 1GG6 | 0.73 | |
APF | 1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN- 2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE) | G | 6GCH | 0.73 | |
PHC | N-METHYL-N-(METHYLBENZYL)FORMAMIDE | A,B | 1BIM | 0.77 | |
PHC | N-METHYL-N-(METHYLBENZYL)FORMAMIDE | A,B | 1BIL | 0.77 | |
007 | 1-METHYLAMINE-1-BENZYL-CYCLOPENTANE | A,B,C,D | 2BUA | 0.74 | |
MKC | 6-BENZYL-1-ETHOXYMETHYL-5-ISOPROPYL URACIL | A | 1RT1 | 0.72 | |
RAS | N-PROPARGYL-1(R)-AMINONDAN | A,B | 2BK4 | 0.7 | |
RAS | N-PROPARGYL-1(R)-AMINONDAN | A,B | 1S2Q | 0.7 | |
DP7 | AC-(D)PHE-PRO-BOROARG-OH | H | 1LHC | 0.71 | |
SRD | D-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID | B,C | 4VGC | 0.76 | |
NFA | PHENYLALANINE AMIDE | A,B,C,D | 2BTJ | 0.73 | |
NFA | PHENYLALANINE AMIDE | A,B,C,D,E,F | 2EFX | 0.73 | |
NFA | PHENYLALANINE AMIDE | A,B,C,D | 2VVJ | 0.73 | |
NFA | PHENYLALANINE AMIDE | A | 2A4O | 0.73 | |
NFA | PHENYLALANINE AMIDE | A,B | 1XAE | 0.73 | |
NFA | PHENYLALANINE AMIDE | A,B,C,D | 2OGR | 0.73 | |
NFA | PHENYLALANINE AMIDE | A,B,C,D | 1QA7 | 0.73 | |
NFA | PHENYLALANINE AMIDE | A,B,C,D | 2GW4 | 0.73 | |
PHM | PHENYLALANYLMETHANE | A,I | 1PJP | 0.72 | |
PHM | PHENYLALANYLMETHANE | A,B,C | 2J9J | 0.72 | |
PHM | PHENYLALANYLMETHANE | A,B,C | 2JE4 | 0.72 | |
DI2 | AC-(D)PHE-PRO-BOROLYS-OH | H | 1LHD | 0.71 | |
J54 | (2R)-3-{[(BENZYLAMINO)CARBONYL]AMINO}- 2-HYDROXYPROPANOIC ACID | A | 2V35 | 0.7 | |
NFP | 3-AMINO-5-PHENYLPENTANE | A | 1MEM | 0.8 | |
NFP | 3-AMINO-5-PHENYLPENTANE | A,D,E | 1FH0 | 0.8 |