Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03239174
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 |
UA5 | (4-ETHYLPHENYL)SULFAMIC ACID | A,B | 2I5X | 0.76 | |
AAN | 2-(4-NITROPHENYL)ACETIC ACID | B | 1AJN | 0.8 | |
APH | P-AMIDINOPHENYL-3-ALANINE | E,I | 1PPC | 0.71 | |
APH | P-AMIDINOPHENYL-3-ALANINE | H | 1ETS | 0.71 | |
APH | P-AMIDINOPHENYL-3-ALANINE | H | 1ETT | 0.71 | |
APH | P-AMIDINOPHENYL-3-ALANINE | I | 1QUR | 0.71 | |
BIF | (R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID | G,M,P,S | 1YYL | 0.72 | |
BIF | (R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID | G,M,P,S | 2I5Y | 0.72 | |
CBL | CHLORAMBUCIL | A,B | 3CSJ | 0.77 | |
4AF | 4-ACETYL-L-PHENYLALANINE | A | 1ZH6 | 0.7 | |
XYD | 2,5-DIMETHYLANILINE | A,B,C,D | 1KYA | 0.74 | |
XYD | 2,5-DIMETHYLANILINE | A | 1L4L | 0.74 | |
MPQ | N-METHYL-ALPHA-PHENYL-GLYCINE | D | 1D6E | 0.72 | |
GEP | N-METHYL-N-(PARA-GLUTARAMIDOPHENYL- ETHYL)-PIPERIDINIUM ION | L | 25C8 | 0.72 | |
ZAE | N-methyl-D-phenylalanine | H,I,R | 1TBZ | 0.73 | |
PRY | 2-PROPYL-ANILINE | A | 1OWY | 0.77 | |
TY2 | 3-AMINO-L-TYROSINE | A,B | 2VH3 | 0.72 | |
BE2 | 2-AMINOBENZOIC ACID | A,B,C,D,E,F, G,H | 1F8S | 0.76 | |
BE2 | 2-AMINOBENZOIC ACID | E,I | 1ZFP | 0.76 | |
BE2 | 2-AMINOBENZOIC ACID | A,B | 2HU8 | 0.76 | |
BE2 | 2-AMINOBENZOIC ACID | A,B | 1AN9 | 0.76 | |
BE2 | 2-AMINOBENZOIC ACID | A,B,C,D | 2GVQ | 0.76 | |
BE2 | 2-AMINOBENZOIC ACID | A,B | 2YR6 | 0.76 | |
BE2 | 2-AMINOBENZOIC ACID | A,I | 1E8N | 0.76 | |
BE2 | 2-AMINOBENZOIC ACID | A,B,C,D | 1ZYK | 0.76 | |
BE2 | 2-AMINOBENZOIC ACID | A | 1C0I | 0.76 | |
BE2 | 2-AMINOBENZOIC ACID | A,B | 2JB3 | 0.76 | |
BE2 | 2-AMINOBENZOIC ACID | A,B,C,D | 2E4A | 0.76 | |
PSA | 3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACID | I | 1EPL | 0.71 | |
PSA | 3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACID | A,B,C,D | 2IFW | 0.71 | |
PSA | 3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACID | E,I | 1EPM | 0.71 | |
AHC | 4-AMINOHYDROCINNAMIC ACID | A,B | 2AY1 | 0.93 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A,B,M,N | 1FJM | 0.71 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A | 1EVA | 0.71 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A | 1LCM | 0.71 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A,B,C,D,E,F, G,H | 2NYM | 0.71 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | C,I | 2IE3 | 0.71 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | C,F,X,Y | 2NPP | 0.71 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A | 1EVC | 0.71 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | C,F,G,H | 3DW8 | 0.71 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A,B,C,D,E,F, G,H | 2NYL | 0.71 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A | 1EVD | 0.71 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A | 1EVB | 0.71 | |
4PH | 4-methyl-L-phenylalanine | B,C | 3BV9 | 0.75 | |
IOY | P-IODO-D-PHENYLALANINE | A | 1XBU | 0.74 | |
IBR | A | 9EST | 0.8 | ||
1PA | PHENYLMETHYLACETIC ACID ALANINE | I | 1BHF | 0.72 | |
HCI | HYDROCINNAMIC ACID | A,B | 1BXG | 0.7 | |
HCI | HYDROCINNAMIC ACID | A,B | 1TOG | 0.7 | |
HCI | HYDROCINNAMIC ACID | A,B | 1V2F | 0.7 | |
HCI | HYDROCINNAMIC ACID | A,B | 1AHX | 0.7 | |
HCI | HYDROCINNAMIC ACID | A | 1TOI | 0.7 | |
HCI | HYDROCINNAMIC ACID | A,B | 1AY8 | 0.7 | |
HCI | HYDROCINNAMIC ACID | A | 1TOJ | 0.7 | |
PG9 | D-PHENYLGLYCINE | A,B,G,H | 10GS | 0.75 | |
PG9 | D-PHENYLGLYCINE | A,B,C,D | 2B4K | 0.75 | |
PPN | PARA-NITROPHENYLALANINE | I | 1YTJ | 0.8 | |
FEX | A | 1OSH | 0.72 | ||
SPB | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | B,H | 1UB5 | 0.73 | |
SPB | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | A,B,H,L | 3CFB | 0.73 | |
SPB | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | B,H | 3CFD | 0.73 | |
SPB | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | A,L | 1FL3 | 0.73 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELE | 0.72 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 7EST | 0.72 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 2EST | 0.72 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELD | 0.72 | |
AZY | 3-AZIDO-L-TYROSINE | A | 2YXN | 0.71 | |
TYZ | PARA ACETAMIDO BENZOIC ACID | B,C | 2BNI | 0.72 | |
TYZ | PARA ACETAMIDO BENZOIC ACID | A | 1W5K | 0.72 | |
TYZ | PARA ACETAMIDO BENZOIC ACID | A | 1W5J | 0.72 | |
XP1 | 4-(DIMETHYLAMINO)BENZOIC ACID | A,B | 2VJ1 | 0.71 | |
XP1 | 4-(DIMETHYLAMINO)BENZOIC ACID | A | 2V6N | 0.71 | |
KY1 | 4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID | A,B,C,D | 2CH2 | 0.82 | |
CXA | PHENYLALANINE-N-SULFONAMIDE | A | 1IY7 | 0.72 | |
3UN | (4-{4-[(TERT-BUTOXYCARBONYL)AMINO]- 2,2-BIS(ETHOXYCARBONYL)BUTYL}PHENYL)SULFAMIC ACID | A | 2H03 | 0.72 | |
3AB | 3-aminobenzamide | A,B,C,D | 3GOY | 0.75 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY5 | 0.73 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY8 | 0.73 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY9 | 0.73 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XXZ | 0.73 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY4 | 0.73 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY6 | 0.73 | |
150 | 4,5-DIMETHYL-1,2-PHENYLENEDIAMINE | A | 1L4F | 0.72 | |
MAZ | FORMIC ACID 3-AMINO-BENZYL ESTER | H,L | 1JYQ | 0.78 | |
AO2 | N'-(2S,3R)-3-AMINO-4-CYCLOHEXYL- 2-HYDROXY-BUTANO-N-(4-METHYLPHENYL)HYDRAZIDE | A | 1R5H | 0.72 | |
GAB | 3-AMINOBENZOIC ACID | A,B,C,D,E,F | 2PQF | 0.77 | |
GAB | 3-AMINOBENZOIC ACID | A,B | 3GSB | 0.77 | |
GAB | 3-AMINOBENZOIC ACID | A,B,C | 1GBN | 0.77 | |
GAB | 3-AMINOBENZOIC ACID | A | 3FHB | 0.77 | |
MCG | (S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE | A,B | 1ISS | 0.71 | |
DIF | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | A,B | 3CFQ | 0.7 | |
DIF | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | A | 1SV9 | 0.7 | |
DIF | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | A | 1NR6 | 0.7 | |
DIF | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | A | 3HWV | 0.7 | |
DIF | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | B | 1DVX | 0.7 | |
DIF | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | A | 2B6D | 0.7 | |
DIF | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | A,B,C,D | 1PXX | 0.7 | |
DIF | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | A | 2B17 | 0.7 | |
0A9 | methyl L-phenylalaninate | A | 1AY2 | 0.8 | |
0A9 | methyl L-phenylalaninate | I | 5ER1 | 0.8 | |
0A9 | methyl L-phenylalaninate | I,P | 1HDT | 0.8 | |
IN4 | +/-METHYL 4-(AMINOIMINOMETHYL)- BETA-[3- INH (AMINOIMINO)PHENYL]BENZENE PENTANOATE | A | 1AZ8 | 0.71 | |
APM | M-AMIDINOPHENYL-3-ALANINE | E | 1PPH | 0.71 | |
IGL | ALPHA-AMINO-2-INDANACETIC ACID | A | 1BDK | 0.7 | |
FLM | 3-FLUORO-2-METHYL-ANILINE | A | 1OVJ | 0.73 | |
KYN | KYNURENINE | A,B,C,D | 2R2N | 0.77 | |
KYN | KYNURENINE | A,B | 3E2Z | 0.77 | |
KYN | KYNURENINE | A | 1XT7 | 0.77 | |
KYN | KYNURENINE | A | 1T5M | 0.77 | |
KYN | KYNURENINE | A | 1T5N | 0.77 | |
KYN | KYNURENINE | A | 2VOV | 0.77 | |
KYN | KYNURENINE | A | 2VOX | 0.77 | |
PHI | IODO-PHENYLALANINE | A | 1TF9 | 0.74 | |
PHI | IODO-PHENYLALANINE | A,B,C,D | 1ORW | 0.74 | |
PHI | IODO-PHENYLALANINE | A | 1T6H | 0.74 | |
PHI | IODO-PHENYLALANINE | A,B,C | 1NLU | 0.74 | |
PHI | IODO-PHENYLALANINE | A,I | 1GA1 | 0.74 | |
PHI | IODO-PHENYLALANINE | A,I | 1GA4 | 0.74 | |
PHI | IODO-PHENYLALANINE | P | 1CZI | 0.74 | |
DPN | D-PHENYLALANINE | P | 1MCS | 0.76 | |
DPN | D-PHENYLALANINE | A | 1GOE | 0.76 | |
DPN | D-PHENYLALANINE | A | 2RM9 | 0.76 | |
DPN | D-PHENYLALANINE | A | 1SOC | 0.76 | |
DPN | D-PHENYLALANINE | B,C,E,F | 1SFQ | 0.76 | |
DPN | D-PHENYLALANINE | I | 1ABJ | 0.76 | |
DPN | D-PHENYLALANINE | P | 1DWE | 0.76 | |
DPN | D-PHENYLALANINE | I,M | 1HLT | 0.76 | |
DPN | D-PHENYLALANINE | A,H,L | 1J9C | 0.76 | |
DPN | D-PHENYLALANINE | I,T | 1TMB | 0.76 | |
DPN | D-PHENYLALANINE | A | 2JRY | 0.76 | |
DPN | D-PHENYLALANINE | A | 2SOC | 0.76 | |
DPN | D-PHENYLALANINE | A | 2YYF | 0.76 | |
DPN | D-PHENYLALANINE | I | 2HGT | 0.76 | |
DPN | D-PHENYLALANINE | A,D | 2Q3I | 0.76 | |
DPN | D-PHENYLALANINE | A,P | 1MCD | 0.76 | |
DPN | D-PHENYLALANINE | P | 1HAO | 0.76 | |
DPN | D-PHENYLALANINE | A,B,I | 1Z8J | 0.76 | |
DPN | D-PHENYLALANINE | A,B,C | 2PGQ | 0.76 | |
DPN | D-PHENYLALANINE | C,D,H,I,L,M, X,Y | 1DVA | 0.76 | |
DPN | D-PHENYLALANINE | P | 1NRR | 0.76 | |
DPN | D-PHENYLALANINE | I | 1PPB | 0.76 | |
DPN | D-PHENYLALANINE | C,D,G,H | 1NU7 | 0.76 | |
DPN | D-PHENYLALANINE | I | 2HPP | 0.76 | |
DPN | D-PHENYLALANINE | B,C | 2OD3 | 0.76 | |
DPN | D-PHENYLALANINE | A | 1B0Q | 0.76 | |
DPN | D-PHENYLALANINE | B,C,E,F | 1NU9 | 0.76 | |
DPN | D-PHENYLALANINE | A,B,I | 1Z8I | 0.76 | |
DPN | D-PHENYLALANINE | H,I,J | 1TMU | 0.76 | |
DPN | D-PHENYLALANINE | A,B,C,D,E,F | 2DNS | 0.76 | |
DPN | D-PHENYLALANINE | A | 1GO9 | 0.76 | |
DPN | D-PHENYLALANINE | B,C,E,F | 1A0H | 0.76 | |
DPN | D-PHENYLALANINE | P | 1MCF | 0.76 | |
DPN | D-PHENYLALANINE | A | 2RME | 0.76 | |
DPN | D-PHENYLALANINE | H,I | 1TMT | 0.76 | |
DPN | D-PHENYLALANINE | I | 1ABI | 0.76 | |
DPN | D-PHENYLALANINE | R | 1NRQ | 0.76 | |
DPN | D-PHENYLALANINE | B,C,F,G | 2A1D | 0.76 | |
DPN | D-PHENYLALANINE | A,B | 2Q33 | 0.76 | |
DPN | D-PHENYLALANINE | C,H,L | 1DAN | 0.76 | |
DPN | D-PHENYLALANINE | P | 1MCE | 0.76 | |
DPN | D-PHENYLALANINE | B,C,E,F | 2A45 | 0.76 | |
DPN | D-PHENYLALANINE | A | 2RMI | 0.76 | |
DPN | D-PHENYLALANINE | A,B,I | 1TQ7 | 0.76 | |
DPN | D-PHENYLALANINE | A | 1W7M | 0.76 | |
DPN | D-PHENYLALANINE | P | 1HAP | 0.76 | |
DPN | D-PHENYLALANINE | A,B | 1ORF | 0.76 | |
DPN | D-PHENYLALANINE | I | 1IHS | 0.76 | |
DPN | D-PHENYLALANINE | P | 1MCC | 0.76 | |
DPN | D-PHENYLALANINE | A | 2RMD | 0.76 | |
DPN | D-PHENYLALANINE | A | 2JQB | 0.76 | |
DPN | D-PHENYLALANINE | I | 2HPQ | 0.76 | |
DPN | D-PHENYLALANINE | C,E,F | 1SHH | 0.76 | |
DPN | D-PHENYLALANINE | A,I | 1CVR | 0.76 | |
DPN | D-PHENYLALANINE | L,P | 1AUT | 0.76 | |
DPN | D-PHENYLALANINE | P | 1MCI | 0.76 | |
DPN | D-PHENYLALANINE | H,I | 3F6U | 0.76 | |
DPN | D-PHENYLALANINE | A | 1BFW | 0.76 | |
DPN | D-PHENYLALANINE | H,I | 1HAI | 0.76 | |
DPN | D-PHENYLALANINE | B,C | 2THF | 0.76 | |
DPN | D-PHENYLALANINE | I | 1IHT | 0.76 | |
DPN | D-PHENYLALANINE | A,P | 1MCJ | 0.76 | |
DPN | D-PHENYLALANINE | A | 1TKH | 0.76 | |
DPN | D-PHENYLALANINE | C,H,L,T | 2FIR | 0.76 | |
DPN | D-PHENYLALANINE | A | 2FMZ | 0.76 | |
DPN | D-PHENYLALANINE | A | 1YL9 | 0.76 | |
DPN | D-PHENYLALANINE | I | 1HUT | 0.76 | |
DPN | D-PHENYLALANINE | I | 1FXY | 0.76 | |
DPN | D-PHENYLALANINE | A | 1YL8 | 0.76 | |
DPN | D-PHENYLALANINE | C,H,L | 1QFK | 0.76 | |
DPN | D-PHENYLALANINE | P | 1MCB | 0.76 | |
DBP | 1,3-DIAMINOBENZYL PHENYLALANINE | A | 1A85 | 0.71 | |
MEA | N-METHYLPHENYLALANINE | A | 2PIL | 0.73 | |
MEA | N-METHYLPHENYLALANINE | A,B,C,D | 1H0I | 0.73 | |
MEA | N-METHYLPHENYLALANINE | A,B,I | 1DOJ | 0.73 | |
SOA | ISATOIC ANHYDRIDE | A | 1BIO | 0.72 | |
EAB | (3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID | A,B | 2H3T | 0.79 | |
APD | 3-METHYLPHENYLALANINE | A,B,C | 1GMY | 0.75 | |
ISO | PARA-ISOPROPYLANILINE | A | 1BMA | 0.76 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELC | 0.76 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELB | 0.76 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELA | 0.76 | |
ZAB | (3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID | A,B | 2H3S | 0.79 | |
ZAB | (3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID | A,B,C,D | 2H4B | 0.79 | |
34A | 3,4-DIMETHYLANILINE | A | 1L4K | 0.76 | |
PFF | 4-FLUORO-L-PHENYLALANINE | A | 3F3C | 0.74 | |
PFF | 4-FLUORO-L-PHENYLALANINE | A,C,E,F | 2UUE | 0.74 | |
PFF | 4-FLUORO-L-PHENYLALANINE | A | 1ZNT | 0.74 | |
PFF | 4-FLUORO-L-PHENYLALANINE | F,H | 1OL1 | 0.74 | |
PFF | 4-FLUORO-L-PHENYLALANINE | A,C,F,H | 2C5V | 0.74 | |
PFF | 4-FLUORO-L-PHENYLALANINE | E,F | 1OL2 | 0.74 | |
TFQ | 4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINE | A | 3D6V | 0.72 | |
CLT | 4-PHENYL-BUTANOIC ACID | A | 1THL | 0.71 | |
CLT | 4-PHENYL-BUTANOIC ACID | A,B | 2AY7 | 0.71 | |
CLT | 4-PHENYL-BUTANOIC ACID | E,I | 1TMN | 0.71 | |
HMF | 2-AMINO-4-PHENYL-BUTYRIC ACID | I,J | 1AY6 | 0.76 | |
2UN | {4-[2-BENZYL-3-METHOXY-2-(METHOXYCARBONYL)- 3-OXOPROPYL]PHENYL}SULFAMIC ACID | A,B | 2H02 | 0.83 | |
4MB | 4-[(METHYLSULFONYL)AMINO]BENZOIC ACID | A,B | 2HDS | 0.75 | |
PAB | 4-AMINOBENZOIC ACID | A | 1PBD | 0.77 | |
PAB | 4-AMINOBENZOIC ACID | B | 2DZA | 0.77 | |
PAB | 4-AMINOBENZOIC ACID | A | 1IUS | 0.77 | |
PAB | 4-AMINOBENZOIC ACID | A | 1IUU | 0.77 | |
PAB | 4-AMINOBENZOIC ACID | A | 1IUT | 0.77 | |
PRQ | (3S)-3-amino-3-(2-nitrophenyl)propanoic acid | C,F,I,L | 2VE6 | 0.76 | |
HPE | HOMOPHENYLALANINE | A,B | 1B1H | 0.76 | |
MNP | 2-(3-NITROPHENYL)ACETIC ACID | B | 1AI5 | 0.75 |