Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02346069
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 |
PPN | PARA-NITROPHENYLALANINE | I | 1YTJ | 0.71 | |
IAC | 1H-INDOL-3-YLACETIC ACID | B | 2P1Q | 0.73 | |
IAC | 1H-INDOL-3-YLACETIC ACID | A | 2OYF | 0.73 | |
IAC | 1H-INDOL-3-YLACETIC ACID | A,B | 3FVU | 0.73 | |
IAC | 1H-INDOL-3-YLACETIC ACID | B | 2P1P | 0.73 | |
3IO | 3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID | A,B,C,D | 1XES | 0.7 | |
3IO | 3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID | B,C,D | 1XET | 0.7 | |
B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A,B | 3F06 | 0.71 | |
B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A,B | 3EZP | 0.71 | |
B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A | 3EW8 | 0.71 | |
B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A,B | 3EZT | 0.71 | |
B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A | 1T67 | 0.71 | |
CBL | CHLORAMBUCIL | A,B | 3CSJ | 0.77 | |
EAB | (3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID | A,B | 2H3T | 0.74 | |
APD | 3-METHYLPHENYLALANINE | A,B,C | 1GMY | 0.71 | |
ITR | IMINO-TRYPTOPHAN | A,B,C,D,E,F, G,H | 1DDO | 0.7 | |
OFL | O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID | A | 1DVZ | 0.72 | |
PIR | 2-(4-AMINO-PHENYL)-5-HYDROXYMETHYL- PYRROLIDINE-3,4-DIOL | A,B,C,D | 2MAS | 0.7 | |
NPG | N-SUCCINYL PHENYLGLYCINE | A,B,C,D | 1SJD | 0.76 | |
TYZ | PARA ACETAMIDO BENZOIC ACID | B,C | 2BNI | 0.73 | |
TYZ | PARA ACETAMIDO BENZOIC ACID | A | 1W5K | 0.73 | |
TYZ | PARA ACETAMIDO BENZOIC ACID | A | 1W5J | 0.73 | |
LI7 | (3E)-3-[(4-HYDROXYPHENYL)IMINO]- 1H-INDOL-2(3H)-ONE | A | 1YXX | 0.72 | |
LZQ | 4-[3-(dibenzylamino)phenyl]-2,4- dioxobutanoic acid | A | 3EB1 | 0.71 | |
4BA | 4-[(2-CARBOXY-ETHYLAMINO)-METHYL]- BENZOIC ACID | C | 1FAV | 0.73 | |
GEP | N-METHYL-N-(PARA-GLUTARAMIDOPHENYL- ETHYL)-PIPERIDINIUM ION | L | 25C8 | 0.72 | |
ST3 | 4-(ACETYLAMINO)-3-AMINO BENZOIC ACID | A,B | 1IVE | 0.71 | |
ST6 | 4-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACID | A,B | 1INH | 0.72 | |
GF7 | (3S)-1-(4-acetylphenyl)-5-oxopyrrolidine- 3-carboxylic acid | A | 3GQZ | 0.72 | |
MN7 | 1-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENE | N | 1NLO | 0.73 | |
HAQ | 5-AMINO-4-OXO-1,2,4,5,6,7-HEXAHYDRO- AZEPINO[3,2,1-HI]INDOLE-2-CARBOXYLIC ACID | D | 1D5X | 0.79 | |
DPN | D-PHENYLALANINE | P | 1MCS | 0.7 | |
DPN | D-PHENYLALANINE | A | 1GOE | 0.7 | |
DPN | D-PHENYLALANINE | A | 2RM9 | 0.7 | |
DPN | D-PHENYLALANINE | A | 1SOC | 0.7 | |
DPN | D-PHENYLALANINE | B,C,E,F | 1SFQ | 0.7 | |
DPN | D-PHENYLALANINE | I | 1ABJ | 0.7 | |
DPN | D-PHENYLALANINE | P | 1DWE | 0.7 | |
DPN | D-PHENYLALANINE | I,M | 1HLT | 0.7 | |
DPN | D-PHENYLALANINE | A,H,L | 1J9C | 0.7 | |
DPN | D-PHENYLALANINE | I,T | 1TMB | 0.7 | |
DPN | D-PHENYLALANINE | A | 2JRY | 0.7 | |
DPN | D-PHENYLALANINE | A | 2SOC | 0.7 | |
DPN | D-PHENYLALANINE | A | 2YYF | 0.7 | |
DPN | D-PHENYLALANINE | I | 2HGT | 0.7 | |
DPN | D-PHENYLALANINE | A,D | 2Q3I | 0.7 | |
DPN | D-PHENYLALANINE | A,P | 1MCD | 0.7 | |
DPN | D-PHENYLALANINE | P | 1HAO | 0.7 | |
DPN | D-PHENYLALANINE | A,B,I | 1Z8J | 0.7 | |
DPN | D-PHENYLALANINE | A,B,C | 2PGQ | 0.7 | |
DPN | D-PHENYLALANINE | C,D,H,I,L,M, X,Y | 1DVA | 0.7 | |
DPN | D-PHENYLALANINE | P | 1NRR | 0.7 | |
DPN | D-PHENYLALANINE | I | 1PPB | 0.7 | |
DPN | D-PHENYLALANINE | C,D,G,H | 1NU7 | 0.7 | |
DPN | D-PHENYLALANINE | I | 2HPP | 0.7 | |
DPN | D-PHENYLALANINE | B,C | 2OD3 | 0.7 | |
DPN | D-PHENYLALANINE | A | 1B0Q | 0.7 | |
DPN | D-PHENYLALANINE | B,C,E,F | 1NU9 | 0.7 | |
DPN | D-PHENYLALANINE | A,B,I | 1Z8I | 0.7 | |
DPN | D-PHENYLALANINE | H,I,J | 1TMU | 0.7 | |
DPN | D-PHENYLALANINE | A,B,C,D,E,F | 2DNS | 0.7 | |
DPN | D-PHENYLALANINE | A | 1GO9 | 0.7 | |
DPN | D-PHENYLALANINE | B,C,E,F | 1A0H | 0.7 | |
DPN | D-PHENYLALANINE | P | 1MCF | 0.7 | |
DPN | D-PHENYLALANINE | A | 2RME | 0.7 | |
DPN | D-PHENYLALANINE | H,I | 1TMT | 0.7 | |
DPN | D-PHENYLALANINE | I | 1ABI | 0.7 | |
DPN | D-PHENYLALANINE | R | 1NRQ | 0.7 | |
DPN | D-PHENYLALANINE | B,C,F,G | 2A1D | 0.7 | |
DPN | D-PHENYLALANINE | A,B | 2Q33 | 0.7 | |
DPN | D-PHENYLALANINE | C,H,L | 1DAN | 0.7 | |
DPN | D-PHENYLALANINE | P | 1MCE | 0.7 | |
DPN | D-PHENYLALANINE | B,C,E,F | 2A45 | 0.7 | |
DPN | D-PHENYLALANINE | A | 2RMI | 0.7 | |
DPN | D-PHENYLALANINE | A,B,I | 1TQ7 | 0.7 | |
DPN | D-PHENYLALANINE | A | 1W7M | 0.7 | |
DPN | D-PHENYLALANINE | P | 1HAP | 0.7 | |
DPN | D-PHENYLALANINE | A,B | 1ORF | 0.7 | |
DPN | D-PHENYLALANINE | I | 1IHS | 0.7 | |
DPN | D-PHENYLALANINE | P | 1MCC | 0.7 | |
DPN | D-PHENYLALANINE | A | 2RMD | 0.7 | |
DPN | D-PHENYLALANINE | A | 2JQB | 0.7 | |
DPN | D-PHENYLALANINE | I | 2HPQ | 0.7 | |
DPN | D-PHENYLALANINE | C,E,F | 1SHH | 0.7 | |
DPN | D-PHENYLALANINE | A,I | 1CVR | 0.7 | |
DPN | D-PHENYLALANINE | L,P | 1AUT | 0.7 | |
DPN | D-PHENYLALANINE | P | 1MCI | 0.7 | |
DPN | D-PHENYLALANINE | H,I | 3F6U | 0.7 | |
DPN | D-PHENYLALANINE | A | 1BFW | 0.7 | |
DPN | D-PHENYLALANINE | H,I | 1HAI | 0.7 | |
DPN | D-PHENYLALANINE | B,C | 2THF | 0.7 | |
DPN | D-PHENYLALANINE | I | 1IHT | 0.7 | |
DPN | D-PHENYLALANINE | A,P | 1MCJ | 0.7 | |
DPN | D-PHENYLALANINE | A | 1TKH | 0.7 | |
DPN | D-PHENYLALANINE | C,H,L,T | 2FIR | 0.7 | |
DPN | D-PHENYLALANINE | A | 2FMZ | 0.7 | |
DPN | D-PHENYLALANINE | A | 1YL9 | 0.7 | |
DPN | D-PHENYLALANINE | I | 1HUT | 0.7 | |
DPN | D-PHENYLALANINE | I | 1FXY | 0.7 | |
DPN | D-PHENYLALANINE | A | 1YL8 | 0.7 | |
DPN | D-PHENYLALANINE | C,H,L | 1QFK | 0.7 | |
DPN | D-PHENYLALANINE | P | 1MCB | 0.7 | |
ZAB | (3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID | A,B | 2H3S | 0.74 | |
ZAB | (3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID | A,B,C,D | 2H4B | 0.74 | |
2S3 | (2S)-2-(1H-indol-3-yl)pentanoic acid | B | 3C6P | 0.72 | |
ZAE | N-methyl-D-phenylalanine | H,I,R | 1TBZ | 0.72 | |
W22 | [(2S)-4-methyl-3-oxo-2,3,4,5-tetrahydro- 1H-1,4-benzodiazepin-2-yl]acetic acid | A,B | 2WKW | 0.71 | |
IDB | 3-[5-[(3-CARBOXY-2,4,6-TRIIODO- PHENYL)CARBAMOYL]PENTANOYLAMINO]- 2,4,6-TRIIODO-BENZOIC ACID | A | 2BXN | 0.72 | |
BR4 | 6-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)- HEXANOIC ACID | A | 1KQU | 0.71 | |
1PA | PHENYLMETHYLACETIC ACID ALANINE | I | 1BHF | 0.72 | |
PYQ | PYROQUILON | A | 1JA9 | 0.73 | |
PYQ | PYROQUILON | A,B,C,D | 1G0O | 0.73 | |
ISN | ISATIN | A,B | 1OJA | 0.72 | |
ISN | ISATIN | A,B | 2BK5 | 0.72 | |
MRE | 2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID | A,B | 2V9C | 0.7 | |
2S2 | (2S)-2-(1H-indol-3-yl)hexanoic acid | B | 3C6O | 0.71 | |
HMF | 2-AMINO-4-PHENYL-BUTYRIC ACID | I,J | 1AY6 | 0.7 | |
IOP | INDOLYLPROPIONIC ACID | A,B | 1AHF | 0.71 | |
IOP | INDOLYLPROPIONIC ACID | A | 2OLI | 0.71 | |
IOP | INDOLYLPROPIONIC ACID | A,B | 2AY5 | 0.71 | |
SU2 | 3-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYLIDENYL]- 2-INDOLINONE | A,B | 1AGW | 0.72 | |
HPE | HOMOPHENYLALANINE | A,B | 1B1H | 0.7 | |
PG9 | D-PHENYLGLYCINE | A,B,G,H | 10GS | 0.74 | |
PG9 | D-PHENYLGLYCINE | A,B,C,D | 2B4K | 0.74 | |
3IB | 3-INDOLEBUTYRIC ACID | A,B | 2AY6 | 0.72 | |
3IB | 3-INDOLEBUTYRIC ACID | A,B,C,E | 2GJ6 | 0.72 | |
IDM | INDOLINE | A,B | 3CEP | 0.75 | |
IDM | INDOLINE | A | 1AEK | 0.75 | |
BC1 | 3-{[(9-CYANO-9,10-DIHYDRO-10-METHYLACRIDIN- 9-YL)CARBONYL]AMINO}PROPANOIC ACID | H,Y | 1LO0 | 0.7 | |
GAB | 3-AMINOBENZOIC ACID | A,B,C,D,E,F | 2PQF | 0.72 | |
GAB | 3-AMINOBENZOIC ACID | A,B | 3GSB | 0.72 | |
GAB | 3-AMINOBENZOIC ACID | A,B,C | 1GBN | 0.72 | |
GAB | 3-AMINOBENZOIC ACID | A | 3FHB | 0.72 | |
12B | BENZO[CD]INDOL-2(1H)-ONE | A,B | 2F67 | 0.71 | |
MPQ | N-METHYL-ALPHA-PHENYL-GLYCINE | D | 1D6E | 0.76 | |
DIF | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | A,B | 3CFQ | 0.77 | |
DIF | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | A | 1SV9 | 0.77 | |
DIF | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | A | 1NR6 | 0.77 | |
DIF | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | A | 3HWV | 0.77 | |
DIF | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | B | 1DVX | 0.77 | |
DIF | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | A | 2B6D | 0.77 | |
DIF | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | A,B,C,D | 1PXX | 0.77 | |
DIF | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | A | 2B17 | 0.77 | |
44B | 1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2- TRIFLUOROETHYL)AMINO]PHENYL}PROPAN- 2-OL | A,B,C,D | 1PQ9 | 0.7 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY5 | 0.76 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY8 | 0.76 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY9 | 0.76 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XXZ | 0.76 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY4 | 0.76 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY6 | 0.76 | |
MEA | N-METHYLPHENYLALANINE | A | 2PIL | 0.72 | |
MEA | N-METHYLPHENYLALANINE | A,B,C,D | 1H0I | 0.72 | |
MEA | N-METHYLPHENYLALANINE | A,B,I | 1DOJ | 0.72 | |
4DP | 3-[5-(DIMETHYLAMINO)-1,3-DIOXO- 1,3-DIHYDRO-2H-ISOINDOL-2-YL]-L- ALANINE | C | 2IPK | 0.72 | |
SPB | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | B,H | 1UB5 | 0.71 | |
SPB | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | A,B,H,L | 3CFB | 0.71 | |
SPB | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | B,H | 3CFD | 0.71 | |
SPB | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | A,L | 1FL3 | 0.71 | |
KYN | KYNURENINE | A,B,C,D | 2R2N | 0.72 | |
KYN | KYNURENINE | A,B | 3E2Z | 0.72 | |
KYN | KYNURENINE | A | 1XT7 | 0.72 | |
KYN | KYNURENINE | A | 1T5M | 0.72 | |
KYN | KYNURENINE | A | 1T5N | 0.72 | |
KYN | KYNURENINE | A | 2VOV | 0.72 | |
KYN | KYNURENINE | A | 2VOX | 0.72 | |
KY1 | 4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID | A,B,C,D | 2CH2 | 0.72 | |
NOX | N-(PARA-GLUTARAMIDOPHENYL-ETHYL)- PIPERIDINIUM-N-OXIDE | L | 35C8 | 0.71 | |
AHC | 4-AMINOHYDROCINNAMIC ACID | A,B | 2AY1 | 0.76 | |
XP1 | 4-(DIMETHYLAMINO)BENZOIC ACID | A,B | 2VJ1 | 0.72 | |
XP1 | 4-(DIMETHYLAMINO)BENZOIC ACID | A | 2V6N | 0.72 | |
LO1 | [[4-(AMINOMETHYL)PHENYL]AMINO]OXO- ACETIC ACID, | A | 1WAX | 0.7 | |
FLF | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A,B | 1BM7 | 0.72 | |
FLF | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A | 1S2C | 0.72 | |
FLF | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A | 2PIX | 0.72 | |
ST4 | 4-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACID | A | 1INF | 0.71 | |
BJI | 1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID | A | 1ERM | 0.7 | |
OBA | 2-(OXALYL-AMINO)-BENZOIC ACID | A | 1C85 | 0.71 | |
L98 | (2R)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)- 3-SULFANYLPROPANOIC ACID | A,B,C | 1ZG8 | 0.71 | |
IDA | (2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO- INDOL-7-YL)ACETIC ACID | A,B | 1OXL | 0.73 | |
3B4 | 2-(cyclohexylamino)benzoic acid | A,B | 3B4P | 0.77 |