Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00042887
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 |
IBP | IBUPROFEN | A | 3FKX | 0.73 | |
IBP | IBUPROFEN | A,B | 2BXG | 0.73 | |
IBP | IBUPROFEN | A,B | 1EQG | 0.73 | |
IBP | IBUPROFEN | A,B,C | 2WD9 | 0.73 | |
IBP | IBUPROFEN | A | 2PWS | 0.73 | |
BP4 | BIPHENYL-4-YL-ACETALDEHYDE | A,B,E,F,G,H | 1MHW | 0.76 | |
DI5 | AC-(D)PHE-PRO-BOROHOMOORNITHINE- OH | H | 1LHG | 0.7 | |
DPN | D-PHENYLALANINE | P | 1MCS | 0.72 | |
DPN | D-PHENYLALANINE | A | 1GOE | 0.72 | |
DPN | D-PHENYLALANINE | A | 2RM9 | 0.72 | |
DPN | D-PHENYLALANINE | A | 1SOC | 0.72 | |
DPN | D-PHENYLALANINE | B,C,E,F | 1SFQ | 0.72 | |
DPN | D-PHENYLALANINE | I | 1ABJ | 0.72 | |
DPN | D-PHENYLALANINE | P | 1DWE | 0.72 | |
DPN | D-PHENYLALANINE | I,M | 1HLT | 0.72 | |
DPN | D-PHENYLALANINE | A,H,L | 1J9C | 0.72 | |
DPN | D-PHENYLALANINE | I,T | 1TMB | 0.72 | |
DPN | D-PHENYLALANINE | A | 2JRY | 0.72 | |
DPN | D-PHENYLALANINE | A | 2SOC | 0.72 | |
DPN | D-PHENYLALANINE | A | 2YYF | 0.72 | |
DPN | D-PHENYLALANINE | I | 2HGT | 0.72 | |
DPN | D-PHENYLALANINE | A,D | 2Q3I | 0.72 | |
DPN | D-PHENYLALANINE | A,P | 1MCD | 0.72 | |
DPN | D-PHENYLALANINE | P | 1HAO | 0.72 | |
DPN | D-PHENYLALANINE | A,B,I | 1Z8J | 0.72 | |
DPN | D-PHENYLALANINE | A,B,C | 2PGQ | 0.72 | |
DPN | D-PHENYLALANINE | C,D,H,I,L,M, X,Y | 1DVA | 0.72 | |
DPN | D-PHENYLALANINE | P | 1NRR | 0.72 | |
DPN | D-PHENYLALANINE | I | 1PPB | 0.72 | |
DPN | D-PHENYLALANINE | C,D,G,H | 1NU7 | 0.72 | |
DPN | D-PHENYLALANINE | I | 2HPP | 0.72 | |
DPN | D-PHENYLALANINE | B,C | 2OD3 | 0.72 | |
DPN | D-PHENYLALANINE | A | 1B0Q | 0.72 | |
DPN | D-PHENYLALANINE | B,C,E,F | 1NU9 | 0.72 | |
DPN | D-PHENYLALANINE | A,B,I | 1Z8I | 0.72 | |
DPN | D-PHENYLALANINE | H,I,J | 1TMU | 0.72 | |
DPN | D-PHENYLALANINE | A,B,C,D,E,F | 2DNS | 0.72 | |
DPN | D-PHENYLALANINE | A | 1GO9 | 0.72 | |
DPN | D-PHENYLALANINE | B,C,E,F | 1A0H | 0.72 | |
DPN | D-PHENYLALANINE | P | 1MCF | 0.72 | |
DPN | D-PHENYLALANINE | A | 2RME | 0.72 | |
DPN | D-PHENYLALANINE | H,I | 1TMT | 0.72 | |
DPN | D-PHENYLALANINE | I | 1ABI | 0.72 | |
DPN | D-PHENYLALANINE | R | 1NRQ | 0.72 | |
DPN | D-PHENYLALANINE | B,C,F,G | 2A1D | 0.72 | |
DPN | D-PHENYLALANINE | A,B | 2Q33 | 0.72 | |
DPN | D-PHENYLALANINE | C,H,L | 1DAN | 0.72 | |
DPN | D-PHENYLALANINE | P | 1MCE | 0.72 | |
DPN | D-PHENYLALANINE | B,C,E,F | 2A45 | 0.72 | |
DPN | D-PHENYLALANINE | A | 2RMI | 0.72 | |
DPN | D-PHENYLALANINE | A,B,I | 1TQ7 | 0.72 | |
DPN | D-PHENYLALANINE | A | 1W7M | 0.72 | |
DPN | D-PHENYLALANINE | P | 1HAP | 0.72 | |
DPN | D-PHENYLALANINE | A,B | 1ORF | 0.72 | |
DPN | D-PHENYLALANINE | I | 1IHS | 0.72 | |
DPN | D-PHENYLALANINE | P | 1MCC | 0.72 | |
DPN | D-PHENYLALANINE | A | 2RMD | 0.72 | |
DPN | D-PHENYLALANINE | A | 2JQB | 0.72 | |
DPN | D-PHENYLALANINE | I | 2HPQ | 0.72 | |
DPN | D-PHENYLALANINE | C,E,F | 1SHH | 0.72 | |
DPN | D-PHENYLALANINE | A,I | 1CVR | 0.72 | |
DPN | D-PHENYLALANINE | L,P | 1AUT | 0.72 | |
DPN | D-PHENYLALANINE | P | 1MCI | 0.72 | |
DPN | D-PHENYLALANINE | H,I | 3F6U | 0.72 | |
DPN | D-PHENYLALANINE | A | 1BFW | 0.72 | |
DPN | D-PHENYLALANINE | H,I | 1HAI | 0.72 | |
DPN | D-PHENYLALANINE | B,C | 2THF | 0.72 | |
DPN | D-PHENYLALANINE | I | 1IHT | 0.72 | |
DPN | D-PHENYLALANINE | A,P | 1MCJ | 0.72 | |
DPN | D-PHENYLALANINE | A | 1TKH | 0.72 | |
DPN | D-PHENYLALANINE | C,H,L,T | 2FIR | 0.72 | |
DPN | D-PHENYLALANINE | A | 2FMZ | 0.72 | |
DPN | D-PHENYLALANINE | A | 1YL9 | 0.72 | |
DPN | D-PHENYLALANINE | I | 1HUT | 0.72 | |
DPN | D-PHENYLALANINE | I | 1FXY | 0.72 | |
DPN | D-PHENYLALANINE | A | 1YL8 | 0.72 | |
DPN | D-PHENYLALANINE | C,H,L | 1QFK | 0.72 | |
DPN | D-PHENYLALANINE | P | 1MCB | 0.72 | |
HY1 | PHENYLACETALDEHYDE | D,H | 2I0S | 0.75 | |
HY1 | PHENYLACETALDEHYDE | A,B | 1D6Y | 0.75 | |
HY1 | PHENYLACETALDEHYDE | A,B | 1D6Z | 0.75 | |
HY1 | PHENYLACETALDEHYDE | D,H | 2OK4 | 0.75 | |
HY1 | PHENYLACETALDEHYDE | A,B | 1D6U | 0.75 | |
BHO | BENZHYDROXAMIC ACID | A,B | 1GX2 | 0.75 | |
BHO | BENZHYDROXAMIC ACID | A | 1HSR | 0.75 | |
BHO | BENZHYDROXAMIC ACID | A,B | 2ATJ | 0.75 | |
BHO | BENZHYDROXAMIC ACID | A,B | 4ATJ | 0.75 | |
BHO | BENZHYDROXAMIC ACID | A,B | 3ATJ | 0.75 | |
BHO | BENZHYDROXAMIC ACID | A | 3GCK | 0.75 | |
BHO | BENZHYDROXAMIC ACID | A,B,C,D,E,F, G,H | 2BOY | 0.75 | |
PLH | METHYLAMINO-PHENYLALANYL-LEUCYL- HYDROXAMIC ACID | A | 1HFC | 0.72 | |
PLH | METHYLAMINO-PHENYLALANYL-LEUCYL- HYDROXAMIC ACID | A | 1MNC | 0.72 | |
0A9 | methyl L-phenylalaninate | A | 1AY2 | 0.73 | |
0A9 | methyl L-phenylalaninate | I | 5ER1 | 0.73 | |
0A9 | methyl L-phenylalaninate | I,P | 1HDT | 0.73 | |
1PA | PHENYLMETHYLACETIC ACID ALANINE | I | 1BHF | 0.73 | |
I4B | ISOBUTYLBENZENE | A | 184L | 0.7 | |
PEA | 2-PHENYLETHYLAMINE | A,B,E,F,G,H | 1MHW | 0.75 | |
PEA | 2-PHENYLETHYLAMINE | A | 1TNJ | 0.75 | |
PEA | 2-PHENYLETHYLAMINE | D,H | 2HKM | 0.75 | |
PEA | 2-PHENYLETHYLAMINE | A | 1UTO | 0.75 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6Y | 0.75 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6Z | 0.75 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6U | 0.75 | |
PEA | 2-PHENYLETHYLAMINE | A | 1UTM | 0.75 | |
PHM | PHENYLALANYLMETHANE | A,I | 1PJP | 0.82 | |
PHM | PHENYLALANYLMETHANE | A,B,C | 2J9J | 0.82 | |
PHM | PHENYLALANYLMETHANE | A,B,C | 2JE4 | 0.82 | |
PQN | PHYLLOQUINONE | A,B,C,F,I,J, K,L,M,X | 1JB0 | 0.71 | |
PQN | PHYLLOQUINONE | 1,2,3,4,A,B, C,F,G,H,I,J, K,L | 2O01 | 0.71 | |
PQN | PHYLLOQUINONE | A,B,C,F,K,L | 2PPS | 0.71 | |
PQN | PHYLLOQUINONE | A,B,C,F,K,L | 1C51 | 0.71 | |
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 | 0.71 | |
BVA | TRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATE | B,C | 2P8O | 0.73 | |
4PH | 4-methyl-L-phenylalanine | B,C | 3BV9 | 0.75 | |
NFA | PHENYLALANINE AMIDE | A,B,C,D | 2BTJ | 0.83 | |
NFA | PHENYLALANINE AMIDE | A,B,C,D,E,F | 2EFX | 0.83 | |
NFA | PHENYLALANINE AMIDE | A,B,C,D | 2VVJ | 0.83 | |
NFA | PHENYLALANINE AMIDE | A | 2A4O | 0.83 | |
NFA | PHENYLALANINE AMIDE | A,B | 1XAE | 0.83 | |
NFA | PHENYLALANINE AMIDE | A,B,C,D | 2OGR | 0.83 | |
NFA | PHENYLALANINE AMIDE | A,B,C,D | 1QA7 | 0.83 | |
NFA | PHENYLALANINE AMIDE | A,B,C,D | 2GW4 | 0.83 | |
1LP | TRANYLCYPROMINE | A,B | 1OJB | 0.8 | |
U1N | 4-[(3R)-3-{[2-(4-FLUOROPHENYL)- 2-OXOETHYL]AMINO}BUTYL]BENZAMIDE | A,B | 2OGZ | 0.7 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,C | 2AOI | 0.74 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOF | 0.74 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOJ | 0.74 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOH | 0.74 | |
TFQ | 4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINE | A | 3D6V | 0.71 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBM | 0.74 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBD | 0.74 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1P06 | 0.74 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBI | 0.74 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 8LPR | 0.74 | |
B2Y | 1-biphenyl-2-ylmethanamine | A,B,C,D | 3CCB | 0.7 | |
ISO | PARA-ISOPROPYLANILINE | A | 1BMA | 0.7 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELC | 0.7 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELB | 0.7 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELA | 0.7 | |
NFP | 3-AMINO-5-PHENYLPENTANE | A | 1MEM | 0.75 | |
NFP | 3-AMINO-5-PHENYLPENTANE | A,D,E | 1FH0 | 0.75 | |
BIF | (R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID | G,M,P,S | 1YYL | 0.73 | |
BIF | (R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID | G,M,P,S | 2I5Y | 0.73 | |
PCS | PHENYLALANYLMETHYLCHLORIDE | B,D | 1DLK | 0.74 | |
PCS | PHENYLALANYLMETHYLCHLORIDE | A | 1XQX | 0.74 | |
BZQ | DIPHENYLMETHANONE | A,B | 1GT5 | 0.71 | |
BZQ | DIPHENYLMETHANONE | A,B | 1DZP | 0.71 | |
PSS | ETHYLAMINOBENZYLMETHYLCARBONYL GROUP | A | 1EAG | 0.75 | |
BBA | 2,7-BIS-(4-AMIDINOBENZYLIDENE)- CYCLOHEPTAN-1-ONE | A,B | 1A5H | 0.73 | |
BBA | 2,7-BIS-(4-AMIDINOBENZYLIDENE)- CYCLOHEPTAN-1-ONE | T | 1V2N | 0.73 | |
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 | |
HMF | 2-AMINO-4-PHENYL-BUTYRIC ACID | I,J | 1AY6 | 0.7 | |
SP8 | N-{(1S)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNS | 0.73 | |
AC0 | 1-PHENYLETHANONE | A | 1ZK1 | 0.74 | |
AC0 | 1-PHENYLETHANONE | A | 1ZK4 | 0.74 | |
605 | 4'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl- 3-carboxamide | A,B | 3D4L | 0.74 | |
HPE | HOMOPHENYLALANINE | A,B | 1B1H | 0.7 | |
PHA | PHENYLALANINAL | A,B | 1OB2 | 0.79 | |
PHA | PHENYLALANINAL | V,Y,Z | 2WDG | 0.79 | |
PHA | PHENYLALANINAL | V,Y,Z | 2WDK | 0.79 | |
PHA | PHENYLALANINAL | 1,2,4,5,A,B, C,D,E,J,K,L, M,N,O,P,R,S, T,U,V,Z | 1M90 | 0.79 | |
PHA | PHENYLALANINAL | P | 3SGA | 0.79 | |
PHA | PHENYLALANINAL | A,B,C,D,E,F | 1OB5 | 0.79 | |
PHA | PHENYLALANINAL | V,Y,Z | 2WDM | 0.79 | |
PHA | PHENYLALANINAL | 0,2,4,9,A,B, C,H,I,J,K,L, M,N,P,Q,R,S, T,X,Y,Z | 1KQS | 0.79 | |
PHA | PHENYLALANINAL | A,B | 1KDV | 0.79 | |
PHA | PHENYLALANINAL | 1,2,4,5,6,A, B,C,D,E,J,K, L,M,N,O,P,R, S,T,U,V,Z | 1Q86 | 0.79 | |
PHA | PHENYLALANINAL | A,B | 1KDY | 0.79 | |
PHA | PHENYLALANINAL | V,Y,Z | 3FIC | 0.79 | |
PHA | PHENYLALANINAL | V,Y,Z | 2WDH | 0.79 | |
PHA | PHENYLALANINAL | A,B | 1KE2 | 0.79 | |
IPO | PARA-IODO-D-PHENYLALANINE HYDROXAMIC ACID | A | 1IGB | 0.76 | |
JNH | 1-[2-(S)-AMINO-3-BIPHENYL-4-YL- PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE | I,J | 2AJL | 0.75 | |
NAM | NAM NAPTHYLAMINOALANINE | A,B,I,J | 3FIV | 0.77 | |
NAM | NAM NAPTHYLAMINOALANINE | A,B,I,J | 2FIV | 0.77 | |
44U | beta-phenyl-D-phenylalanyl-N-propyl- L-prolinamide | B,D | 3DA9 | 0.73 | |
PPT | 3-(P-TOLYL)PROPIONIC ACID | A,B | 2AY4 | 0.71 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A | 1OS0 | 0.71 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJI | 0.71 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJJ | 0.71 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 2VS2 | 0.71 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 1OD1 | 0.71 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | E | 1EPR | 0.71 | |
4AF | 4-ACETYL-L-PHENYLALANINE | A | 1ZH6 | 0.71 | |
BFL | A,B | 1Q4G | 0.7 | ||
HPQ | HOMOPHENYLALANINYLMETHANE | B | 1EWP | 0.82 | |
SRB | L-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID | B,C | 3VGC | 0.71 | |
EOA | N-PHENETHYL-FORMAMIDE | H,I | 1A5G | 0.71 | |
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 | |
IPP | (P-IODOPHENYLACETYLAMINO)METHYLPHOSPHINIC ACID | A,B | 1BLS | 0.76 | |
3AB | 3-aminobenzamide | A,B,C,D | 3GOY | 0.71 | |
HBC | (2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT- 2-YL)-PHENYL-METHANONE | H | 1JGU | 0.76 | |
LEG | 1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE | A,B | 2PIN | 0.77 | |
HIN | (2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL- CHLOROETHYLKETONE | B | 2GMT | 0.7 | |
TPA | TRANS-2-PHENYLCYCLOPROPYLAMINE | A | 1TNL | 0.75 | |
4PI | N-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINE | A,B | 2NSD | 0.72 | |
SP9 | N-{(1R)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNT | 0.73 | |
GK5 | N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)- 6-methylbiphenyl-3,4'-dicarboxamide | A | 3D7Z | 0.71 | |
PO0 | 1-BENZYL-(R)-PROPYLAMINE | A,I | 1LZQ | 0.74 | |
PO0 | 1-BENZYL-(R)-PROPYLAMINE | B,I | 1M0B | 0.74 | |
APD | 3-METHYLPHENYLALANINE | A,B,C | 1GMY | 0.73 | |
FPA | 1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDE | E,I | 4EST | 0.72 | |
DHQ | 3,4-DIHYDRO-5-METHYL-ISOQUINOLINONE | A | 1PAX | 0.71 | |
PRA | 3-PHENYLPROPYLAMINE | A | 1TNK | 0.73 | |
PRA | 3-PHENYLPROPYLAMINE | M | 1UTL | 0.73 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1K5S | 0.71 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1KEC | 0.71 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1K7D | 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 | |
PBN | 4-PHENYLBUTYLAMINE | A | 1TNI | 0.73 | |
PBN | 4-PHENYLBUTYLAMINE | A | 1UTP | 0.73 | |
007 | 1-METHYLAMINE-1-BENZYL-CYCLOPENTANE | A,B,C,D | 2BUA | 0.74 | |
BHY | N,N'-[biphenyl-4,4'-diyldi(2R)propane- 2,1-diyl]dimethanesulfonamide | A,B | 3BBR | 0.7 | |
3PL | 3-PHENYLPROPANAL | E | 1Y3G | 0.74 | |
SRD | D-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID | B,C | 4VGC | 0.71 |