Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02191839
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 | 0.76 | ![]() |
TYZ![]() | PARA ACETAMIDO BENZOIC ACID | B,C | 2BNI | 0.75 | ![]() |
TYZ![]() | PARA ACETAMIDO BENZOIC ACID | A | 1W5K | 0.75 | ![]() |
TYZ![]() | PARA ACETAMIDO BENZOIC ACID | A | 1W5J | 0.75 | ![]() |
486![]() | 11-(4-DIMETHYLAMINO-PHENYL)-17- HYDROXY-13-METHYL-17-PROP-1-YNYL- 1,2,6,7,8,11,12,13,14,15,16,17- DODEC AHYDRO-CYCLOPENTA[A]PHENANTHREN- 3-ONE | A | 1NHZ | 0.74 | ![]() |
486![]() | 11-(4-DIMETHYLAMINO-PHENYL)-17- HYDROXY-13-METHYL-17-PROP-1-YNYL- 1,2,6,7,8,11,12,13,14,15,16,17- DODEC AHYDRO-CYCLOPENTA[A]PHENANTHREN- 3-ONE | A,B | 2W8Y | 0.74 | ![]() |
GBS![]() | 4-GUANIDINOBENZOIC ACID | X | 2AH4 | 0.71 | ![]() |
GBS![]() | 4-GUANIDINOBENZOIC ACID | A | 1GBT | 0.71 | ![]() |
GBS![]() | 4-GUANIDINOBENZOIC ACID | A | 1RTK | 0.71 | ![]() |
GBS![]() | 4-GUANIDINOBENZOIC ACID | A | 3DFL | 0.71 | ![]() |
XP1![]() | 4-(DIMETHYLAMINO)BENZOIC ACID | A,B | 2VJ1 | 0.82 | ![]() |
XP1![]() | 4-(DIMETHYLAMINO)BENZOIC ACID | A | 2V6N | 0.82 | ![]() |
APD![]() | 3-METHYLPHENYLALANINE | A,B,C | 1GMY | 0.71 | ![]() |
IS2![]() | [(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID | A | 1O4J | 0.7 | ![]() |
L98![]() | (2R)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)- 3-SULFANYLPROPANOIC ACID | A,B,C | 1ZG8 | 0.74 | ![]() |
LZQ![]() | 4-[3-(dibenzylamino)phenyl]-2,4- dioxobutanoic acid | A | 3EB1 | 0.76 | ![]() |
ZAE![]() | N-methyl-D-phenylalanine | H,I,R | 1TBZ | 0.73 | ![]() |
NAF![]() | M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2- TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE | A | 1AMN | 0.78 | ![]() |
NAF![]() | M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2- TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE | A,B | 2H9Y | 0.78 | ![]() |
GAB![]() | 3-AMINOBENZOIC ACID | A,B,C,D,E,F | 2PQF | 0.71 | ![]() |
GAB![]() | 3-AMINOBENZOIC ACID | A,B | 3GSB | 0.71 | ![]() |
GAB![]() | 3-AMINOBENZOIC ACID | A,B,C | 1GBN | 0.71 | ![]() |
GAB![]() | 3-AMINOBENZOIC ACID | A | 3FHB | 0.71 | ![]() |
ST3![]() | 4-(ACETYLAMINO)-3-AMINO BENZOIC ACID | A,B | 1IVE | 0.71 | ![]() |
4MB![]() | 4-[(METHYLSULFONYL)AMINO]BENZOIC ACID | A,B | 2HDS | 0.71 | ![]() |
53N![]() | 3-[5-(3-nitrophenyl)thiophen-2- yl]propanoic acid | A | 3DN5 | 0.72 | ![]() |
2UN![]() | {4-[2-BENZYL-3-METHOXY-2-(METHOXYCARBONYL)- 3-OXOPROPYL]PHENYL}SULFAMIC ACID | A,B | 2H02 | 0.73 | ![]() |
W22![]() | [(2S)-4-methyl-3-oxo-2,3,4,5-tetrahydro- 1H-1,4-benzodiazepin-2-yl]acetic acid | A,B | 2WKW | 0.71 | ![]() |
PRQ![]() | (3S)-3-amino-3-(2-nitrophenyl)propanoic acid | C,F,I,L | 2VE6 | 0.72 | ![]() |
MPQ![]() | N-METHYL-ALPHA-PHENYL-GLYCINE | D | 1D6E | 0.75 | ![]() |
IAM![]() | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY5 | 0.74 | ![]() |
IAM![]() | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY8 | 0.74 | ![]() |
IAM![]() | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY9 | 0.74 | ![]() |
IAM![]() | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XXZ | 0.74 | ![]() |
IAM![]() | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY4 | 0.74 | ![]() |
IAM![]() | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY6 | 0.74 | ![]() |
PG9![]() | D-PHENYLGLYCINE | A,B,G,H | 10GS | 0.73 | ![]() |
PG9![]() | D-PHENYLGLYCINE | A,B,C,D | 2B4K | 0.73 | ![]() |
GF7![]() | (3S)-1-(4-acetylphenyl)-5-oxopyrrolidine- 3-carboxylic acid | A | 3GQZ | 0.75 | ![]() |
AHC![]() | 4-AMINOHYDROCINNAMIC ACID | A,B | 2AY1 | 0.85 | ![]() |
FLF![]() | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A,B | 1BM7 | 0.71 | ![]() |
FLF![]() | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A | 1S2C | 0.71 | ![]() |
FLF![]() | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A | 2PIX | 0.71 | ![]() |
DNS![]() | N~6~-{[5-(DIMETHYLAMINO)-1-NAPHTHYL]SULFONYL}- L-LYSINE | H | 1WZ1 | 0.73 | ![]() |
MRE![]() | 2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID | A,B | 2V9C | 0.78 | ![]() |
EBW![]() | 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}- 3-OXOPENTYL)-N,N-DIMETHYL-N-PROP- 2-ENYLBENZENAMINIUM | A | 1E3Q | 0.77 | ![]() |
TNS![]() | A,B,L | 2G2R | 0.78 | ![]() | |
4PH![]() | 4-methyl-L-phenylalanine | B,C | 3BV9 | 0.71 | ![]() |
LO1![]() | [[4-(AMINOMETHYL)PHENYL]AMINO]OXO- ACETIC ACID, | A | 1WAX | 0.73 | ![]() |
OFL![]() | O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID | A | 1DVZ | 0.71 | ![]() |
NOX![]() | N-(PARA-GLUTARAMIDOPHENYL-ETHYL)- PIPERIDINIUM-N-OXIDE | L | 35C8 | 0.76 | ![]() |
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 | ![]() |
CBL![]() | CHLORAMBUCIL | A,B | 3CSJ | 0.87 | ![]() |
DPN![]() | D-PHENYLALANINE | P | 1MCS | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | A | 1GOE | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | A | 2RM9 | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | A | 1SOC | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | B,C,E,F | 1SFQ | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | I | 1ABJ | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | P | 1DWE | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | I,M | 1HLT | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | A,H,L | 1J9C | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | I,T | 1TMB | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | A | 2JRY | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | A | 2SOC | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | A | 2YYF | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | I | 2HGT | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | A,D | 2Q3I | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | A,P | 1MCD | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | P | 1HAO | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | A,B,I | 1Z8J | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | A,B,C | 2PGQ | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | C,D,H,I,L,M, X,Y | 1DVA | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | P | 1NRR | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | I | 1PPB | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | C,D,G,H | 1NU7 | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | I | 2HPP | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | B,C | 2OD3 | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | A | 1B0Q | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | B,C,E,F | 1NU9 | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | A,B,I | 1Z8I | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | H,I,J | 1TMU | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | A,B,C,D,E,F | 2DNS | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | A | 1GO9 | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | B,C,E,F | 1A0H | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | P | 1MCF | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | A | 2RME | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | H,I | 1TMT | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | I | 1ABI | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | R | 1NRQ | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | B,C,F,G | 2A1D | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | A,B | 2Q33 | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | C,H,L | 1DAN | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | P | 1MCE | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | B,C,E,F | 2A45 | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | A | 2RMI | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | A,B,I | 1TQ7 | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | A | 1W7M | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | P | 1HAP | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | A,B | 1ORF | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | I | 1IHS | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | P | 1MCC | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | A | 2RMD | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | A | 2JQB | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | I | 2HPQ | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | C,E,F | 1SHH | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | A,I | 1CVR | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | L,P | 1AUT | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | P | 1MCI | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | H,I | 3F6U | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | A | 1BFW | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | H,I | 1HAI | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | B,C | 2THF | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | I | 1IHT | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | A,P | 1MCJ | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | A | 1TKH | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | C,H,L,T | 2FIR | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | A | 2FMZ | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | A | 1YL9 | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | I | 1HUT | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | I | 1FXY | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | A | 1YL8 | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | C,H,L | 1QFK | 0.71 | ![]() |
DPN![]() | D-PHENYLALANINE | P | 1MCB | 0.71 | ![]() |
3B4![]() | 2-(cyclohexylamino)benzoic acid | A,B | 3B4P | 0.74 | ![]() |
SPB![]() | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | B,H | 1UB5 | 0.76 | ![]() |
SPB![]() | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | A,B,H,L | 3CFB | 0.76 | ![]() |
SPB![]() | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | B,H | 3CFD | 0.76 | ![]() |
SPB![]() | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | A,L | 1FL3 | 0.76 | ![]() |
DMC![]() | 3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)- 2-METHYL-PROPIONIC ACID | G | 4GCH | 0.73 | ![]() |
BE2![]() | 2-AMINOBENZOIC ACID | A,B,C,D,E,F, G,H | 1F8S | 0.7 | ![]() |
BE2![]() | 2-AMINOBENZOIC ACID | E,I | 1ZFP | 0.7 | ![]() |
BE2![]() | 2-AMINOBENZOIC ACID | A,B | 2HU8 | 0.7 | ![]() |
BE2![]() | 2-AMINOBENZOIC ACID | A,B | 1AN9 | 0.7 | ![]() |
BE2![]() | 2-AMINOBENZOIC ACID | A,B,C,D | 2GVQ | 0.7 | ![]() |
BE2![]() | 2-AMINOBENZOIC ACID | A,B | 2YR6 | 0.7 | ![]() |
BE2![]() | 2-AMINOBENZOIC ACID | A,I | 1E8N | 0.7 | ![]() |
BE2![]() | 2-AMINOBENZOIC ACID | A,B,C,D | 1ZYK | 0.7 | ![]() |
BE2![]() | 2-AMINOBENZOIC ACID | A | 1C0I | 0.7 | ![]() |
BE2![]() | 2-AMINOBENZOIC ACID | A,B | 2JB3 | 0.7 | ![]() |
BE2![]() | 2-AMINOBENZOIC ACID | A,B,C,D | 2E4A | 0.7 | ![]() |
GEP![]() | N-METHYL-N-(PARA-GLUTARAMIDOPHENYL- ETHYL)-PIPERIDINIUM ION | L | 25C8 | 0.79 | ![]() |
AAH![]() | H | 1KEL | 0.74 | ![]() | |
AAH![]() | B,H | 1FL6 | 0.74 | ![]() | |
ZAB![]() | (3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID | A,B | 2H3S | 0.76 | ![]() |
ZAB![]() | (3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID | A,B,C,D | 2H4B | 0.76 | ![]() |
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 | ![]() |
TSN![]() | TRICHOSTATIN A | A,B | 1T64 | 0.72 | ![]() |
TSN![]() | TRICHOSTATIN A | A,B | 1C3R | 0.72 | ![]() |
TSN![]() | TRICHOSTATIN A | A,B,C | 3F0R | 0.72 | ![]() |
TSN![]() | TRICHOSTATIN A | A,B,C | 3C10 | 0.72 | ![]() |
DIF![]() | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | A,B | 3CFQ | 0.73 | ![]() |
DIF![]() | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | A | 1SV9 | 0.73 | ![]() |
DIF![]() | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | A | 1NR6 | 0.73 | ![]() |
DIF![]() | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | A | 3HWV | 0.73 | ![]() |
DIF![]() | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | B | 1DVX | 0.73 | ![]() |
DIF![]() | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | A | 2B6D | 0.73 | ![]() |
DIF![]() | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | A,B,C,D | 1PXX | 0.73 | ![]() |
DIF![]() | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | A | 2B17 | 0.73 | ![]() |
MNP![]() | 2-(3-NITROPHENYL)ACETIC ACID | B | 1AI5 | 0.74 | ![]() |
AAN![]() | 2-(4-NITROPHENYL)ACETIC ACID | B | 1AJN | 0.78 | ![]() |
FEX![]() | A | 1OSH | 0.76 | ![]() | |
EAB![]() | (3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID | A,B | 2H3T | 0.76 | ![]() |
B3N![]() | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A,B | 3F06 | 0.74 | ![]() |
B3N![]() | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A,B | 3EZP | 0.74 | ![]() |
B3N![]() | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A | 3EW8 | 0.74 | ![]() |
B3N![]() | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A,B | 3EZT | 0.74 | ![]() |
B3N![]() | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A | 1T67 | 0.74 | ![]() |
PAB![]() | 4-AMINOBENZOIC ACID | A | 1PBD | 0.72 | ![]() |
PAB![]() | 4-AMINOBENZOIC ACID | B | 2DZA | 0.72 | ![]() |
PAB![]() | 4-AMINOBENZOIC ACID | A | 1IUS | 0.72 | ![]() |
PAB![]() | 4-AMINOBENZOIC ACID | A | 1IUU | 0.72 | ![]() |
PAB![]() | 4-AMINOBENZOIC ACID | A | 1IUT | 0.72 | ![]() |
KY1![]() | 4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID | A,B,C,D | 2CH2 | 0.74 | ![]() |