Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00049733
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 |
NFA | PHENYLALANINE AMIDE | A,B,C,D | 2BTJ | 0.79 | |
NFA | PHENYLALANINE AMIDE | A,B,C,D,E,F | 2EFX | 0.79 | |
NFA | PHENYLALANINE AMIDE | A,B,C,D | 2VVJ | 0.79 | |
NFA | PHENYLALANINE AMIDE | A | 2A4O | 0.79 | |
NFA | PHENYLALANINE AMIDE | A,B | 1XAE | 0.79 | |
NFA | PHENYLALANINE AMIDE | A,B,C,D | 2OGR | 0.79 | |
NFA | PHENYLALANINE AMIDE | A,B,C,D | 1QA7 | 0.79 | |
NFA | PHENYLALANINE AMIDE | A,B,C,D | 2GW4 | 0.79 | |
9AP | 9-AMINOPHENANTHRENE | A | 1EGY | 0.72 | |
EBW | 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}- 3-OXOPENTYL)-N,N-DIMETHYL-N-PROP- 2-ENYLBENZENAMINIUM | A | 1E3Q | 0.75 | |
KYN | KYNURENINE | A,B,C,D | 2R2N | 0.71 | |
KYN | KYNURENINE | A,B | 3E2Z | 0.71 | |
KYN | KYNURENINE | A | 1XT7 | 0.71 | |
KYN | KYNURENINE | A | 1T5M | 0.71 | |
KYN | KYNURENINE | A | 1T5N | 0.71 | |
KYN | KYNURENINE | A | 2VOV | 0.71 | |
KYN | KYNURENINE | A | 2VOX | 0.71 | |
TTT | 5-amino-2-methyl-N-[(1R)-1-naphthalen- 1-ylethyl]benzamide | A | 3E9S | 0.71 | |
EAB | (3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID | A,B | 2H3T | 0.74 | |
IBR | A | 9EST | 0.71 | ||
PBZ | P-AMINO BENZAMIDINE | A,B | 2BDG | 0.77 | |
PBZ | P-AMINO BENZAMIDINE | A | 1RFN | 0.77 | |
PBZ | P-AMINO BENZAMIDINE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 2BDI | 0.77 | |
PBZ | P-AMINO BENZAMIDINE | A,B,C,D | 2BDH | 0.77 | |
PBZ | P-AMINO BENZAMIDINE | A | 1FIZ | 0.77 | |
PBZ | P-AMINO BENZAMIDINE | A | 1FIW | 0.77 | |
PBZ | P-AMINO BENZAMIDINE | H,L,T | 2A2Q | 0.77 | |
SP8 | N-{(1S)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNS | 0.72 | |
4PG | 1-[4-(2-oxo-2-phenylethyl)phenyl]guanidine | U | 2R2W | 0.75 | |
UA5 | (4-ETHYLPHENYL)SULFAMIC ACID | A,B | 2I5X | 0.79 | |
BVA | TRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATE | B,C | 2P8O | 0.72 | |
BHO | BENZHYDROXAMIC ACID | A,B | 1GX2 | 0.74 | |
BHO | BENZHYDROXAMIC ACID | A | 1HSR | 0.74 | |
BHO | BENZHYDROXAMIC ACID | A,B | 2ATJ | 0.74 | |
BHO | BENZHYDROXAMIC ACID | A,B | 4ATJ | 0.74 | |
BHO | BENZHYDROXAMIC ACID | A,B | 3ATJ | 0.74 | |
BHO | BENZHYDROXAMIC ACID | A | 3GCK | 0.74 | |
BHO | BENZHYDROXAMIC ACID | A,B,C,D,E,F, G,H | 2BOY | 0.74 | |
DPZ | 3,5-DIAMINOPHTHALHYDRAZIDE | A | 1F3E | 0.72 | |
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 | |
CF3 | 9,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDE | A,B,C,D | 2GH6 | 0.75 | |
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 | |
NAM | NAM NAPTHYLAMINOALANINE | A,B,I,J | 3FIV | 0.71 | |
NAM | NAM NAPTHYLAMINOALANINE | A,B,I,J | 2FIV | 0.71 | |
AHC | 4-AMINOHYDROCINNAMIC ACID | A,B | 2AY1 | 0.84 | |
SU2 | 3-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYLIDENYL]- 2-INDOLINONE | A,B | 1AGW | 0.7 | |
APZ | 4-AMINOPHTHALHYDRAZIDE | A | 1ENU | 0.77 | |
PAB | 4-AMINOBENZOIC ACID | A | 1PBD | 0.71 | |
PAB | 4-AMINOBENZOIC ACID | B | 2DZA | 0.71 | |
PAB | 4-AMINOBENZOIC ACID | A | 1IUS | 0.71 | |
PAB | 4-AMINOBENZOIC ACID | A | 1IUU | 0.71 | |
PAB | 4-AMINOBENZOIC ACID | A | 1IUT | 0.71 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELE | 0.78 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 7EST | 0.78 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 2EST | 0.78 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELD | 0.78 | |
PNZ | P-NITRO-BENZYLAMINE | A,D,H | 2HJ4 | 0.74 | |
PNZ | P-NITRO-BENZYLAMINE | A,B | 2C70 | 0.74 | |
IPO | PARA-IODO-D-PHENYLALANINE HYDROXAMIC ACID | A | 1IGB | 0.73 | |
APB | M-AMINOPHENYLBORONIC ACID | A,B | 3BLS | 0.74 | |
ISN | ISATIN | A,B | 1OJA | 0.72 | |
ISN | ISATIN | A,B | 2BK5 | 0.72 | |
SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A | 1C3S | 0.78 | |
SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A,B,C | 3C0Z | 0.78 | |
SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A | 1T69 | 0.78 | |
SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A,B,C,D | 1ZZ1 | 0.78 | |
HPQ | HOMOPHENYLALANINYLMETHANE | B | 1EWP | 0.72 | |
G1L | 3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE | A,B | 2I80 | 0.75 | |
IS2 | [(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID | A | 1O4J | 0.74 | |
AQO | 2-AMINOQUINAZOLIN-4(3H)-ONE | A | 1S39 | 0.71 | |
3NT | 3-NITROTOLUENE | A,B | 2BMR | 0.7 | |
3NT | 3-NITROTOLUENE | A,B | 2HMO | 0.7 | |
TSN | TRICHOSTATIN A | A,B | 1T64 | 0.76 | |
TSN | TRICHOSTATIN A | A,B | 1C3R | 0.76 | |
TSN | TRICHOSTATIN A | A,B,C | 3F0R | 0.76 | |
TSN | TRICHOSTATIN A | A,B,C | 3C10 | 0.76 | |
AU4 | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.7 | |
ANL | ANILINE | A | 2OV4 | 0.73 | |
ANL | ANILINE | A | 1AEE | 0.73 | |
ANL | ANILINE | A | 1PPA | 0.73 | |
ANL | ANILINE | A | 1HJ9 | 0.73 | |
NID | 4-NITRO-INDEN-1-ONE | A,B | 1DOH | 0.71 | |
PHA | PHENYLALANINAL | A,B | 1OB2 | 0.73 | |
PHA | PHENYLALANINAL | V,Y,Z | 2WDG | 0.73 | |
PHA | PHENYLALANINAL | V,Y,Z | 2WDK | 0.73 | |
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 | 0.73 | |
PHA | PHENYLALANINAL | P | 3SGA | 0.73 | |
PHA | PHENYLALANINAL | A,B,C,D,E,F | 1OB5 | 0.73 | |
PHA | PHENYLALANINAL | V,Y,Z | 2WDM | 0.73 | |
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 | 0.73 | |
PHA | PHENYLALANINAL | A,B | 1KDV | 0.73 | |
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 | 0.73 | |
PHA | PHENYLALANINAL | A,B | 1KDY | 0.73 | |
PHA | PHENYLALANINAL | V,Y,Z | 3FIC | 0.73 | |
PHA | PHENYLALANINAL | V,Y,Z | 2WDH | 0.73 | |
PHA | PHENYLALANINAL | A,B | 1KE2 | 0.73 | |
XYD | 2,5-DIMETHYLANILINE | A,B,C,D | 1KYA | 0.8 | |
XYD | 2,5-DIMETHYLANILINE | A | 1L4L | 0.8 | |
AAN | 2-(4-NITROPHENYL)ACETIC ACID | B | 1AJN | 0.73 | |
OCH | QUINOLIN-2(1H)-ONE | A,B,C,D,E,F | 1Z03 | 0.73 | |
ANC | ANTHRACEN-1-YLAMINE | A,B | 1GT1 | 0.71 | |
ANC | ANTHRACEN-1-YLAMINE | A,B | 1HN2 | 0.71 | |
2UN | {4-[2-BENZYL-3-METHOXY-2-(METHOXYCARBONYL)- 3-OXOPROPYL]PHENYL}SULFAMIC ACID | A,B | 2H02 | 0.71 | |
34A | 3,4-DIMETHYLANILINE | A | 1L4K | 0.82 | |
BOS | N-[4-(AMINOSULFONYL)PHENYL]-2-MERCAPTOBENZAMIDE | A | 2HD6 | 0.71 | |
ASR | 4-AMINOPHENYLARSONIC ACID | A | 1N4F | 0.74 | |
4AN | 6-AMINO-BENZO[DE]ISOQUINOLINE-1,3- DIONE | A | 2PAX | 0.72 | |
AFF | 2-ACETYLAMINOFLUORENE-3-YL | A | 2GE2 | 0.75 | |
ISO | PARA-ISOPROPYLANILINE | A | 1BMA | 0.82 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELC | 0.82 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELB | 0.82 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELA | 0.82 | |
IAP | 4-IODO-ACETAMIDO PHENYLBORONIC ACID | A | 1S6R | 0.71 | |
IAP | 4-IODO-ACETAMIDO PHENYLBORONIC ACID | A,B | 1K6S | 0.71 | |
1AN | 2-FLUOROANILINE | A | 1LGW | 0.71 | |
BRN | BERENIL | A,B | 268D | 0.7 | |
BRN | BERENIL | A,B | 1D63 | 0.7 | |
BRN | BERENIL | A,D,E | 2GBY | 0.7 | |
BRN | BERENIL | A | 2DBE | 0.7 | |
BRN | BERENIL | A | 2GVR | 0.7 | |
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 | |
PHM | PHENYLALANYLMETHANE | A,I | 1PJP | 0.74 | |
PHM | PHENYLALANYLMETHANE | A,B,C | 2J9J | 0.74 | |
PHM | PHENYLALANYLMETHANE | A,B,C | 2JE4 | 0.74 | |
SP9 | N-{(1R)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNT | 0.72 | |
FLM | 3-FLUORO-2-METHYL-ANILINE | A | 1OVJ | 0.78 | |
150 | 4,5-DIMETHYL-1,2-PHENYLENEDIAMINE | A | 1L4F | 0.79 | |
DBP | 1,3-DIAMINOBENZYL PHENYLALANINE | A | 1A85 | 0.8 | |
3AB | 3-aminobenzamide | A,B,C,D | 3GOY | 0.9 | |
UN6 | (3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]- METHYL}-PHENYL)-SULFAMIC ACID | A | 2F70 | 0.76 | |
LO1 | [[4-(AMINOMETHYL)PHENYL]AMINO]OXO- ACETIC ACID, | A | 1WAX | 0.72 | |
KY1 | 4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID | A,B,C,D | 2CH2 | 0.74 | |
PRY | 2-PROPYL-ANILINE | A | 1OWY | 0.82 | |
PPN | PARA-NITROPHENYLALANINE | I | 1YTJ | 0.74 |