MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00094353

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	0.86
NIY	META-NITRO-TYROSINE	A	2ADP	0.85
NIY	META-NITRO-TYROSINE	A	3DIV	0.85
NIY	META-NITRO-TYROSINE	A	2H5U	0.85
NIY	META-NITRO-TYROSINE	A	1K4Q	0.85
NIY	META-NITRO-TYROSINE	B,G,O,Y	1SDA	0.85
CLC	N-ACETYL-P-NITROPHENYLSERINOL	A	1GRR	0.81
RPN	(R)-1-PARA-NITRO-PHENYL-2-AZIDO- ETHANOL	A,B,C,D	1PX0	0.8
RPN	(R)-1-PARA-NITRO-PHENYL-2-AZIDO- ETHANOL	A,B,C,D	2ZHM	0.8
RPN	(R)-1-PARA-NITRO-PHENYL-2-AZIDO- ETHANOL	A	2ZHN	0.8
PRQ	(3S)-3-amino-3-(2-nitrophenyl)propanoic acid	C,F,I,L	2VE6	0.8
AAN	2-(4-NITROPHENYL)ACETIC ACID	B	1AJN	0.79
TY2	3-AMINO-L-TYROSINE	A,B	2VH3	0.79
BRX	BROMAMPHENICOL	A,B,C,D,E,F	2JKL	0.78
MNP	2-(3-NITROPHENYL)ACETIC ACID	B	1AI5	0.78
AZY	3-AZIDO-L-TYROSINE	A	2YXN	0.78
CLM	CHLORAMPHENICOL	A	1K01	0.77
CLM	CHLORAMPHENICOL	1,2,4,A,B,C, D,E,J,K,L,M, N,O,P,R,S,T, U,V,Z	1NJI	0.77
CLM	CHLORAMPHENICOL	A,B,C,D,E,F	2JKL	0.77
CLM	CHLORAMPHENICOL	A	2XAT	0.77
CLM	CHLORAMPHENICOL	A	4CLA	0.77
CLM	CHLORAMPHENICOL	A	1CLA	0.77
CLM	CHLORAMPHENICOL	A,B,C,D,E,F	1USQ	0.77
CLM	CHLORAMPHENICOL	A,B,C,D,E,F	2JKJ	0.77
CLM	CHLORAMPHENICOL	A,B	2UXP	0.77
CLM	CHLORAMPHENICOL	A	1QHS	0.77
CLM	CHLORAMPHENICOL	A	1QHY	0.77
CLM	CHLORAMPHENICOL	A	3CLA	0.77
4NB	4-NITROBENZOIC ACID	A,B	3CHT	0.76
NPA	2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID	H	1NGP	0.76
TYQ	3-AMINO-6-HYDROXY-TYROSINE	A,B	1D6Y	0.76
TYQ	3-AMINO-6-HYDROXY-TYROSINE	A,B	1D6U	0.76
NPC	4-HYDROXY-3-NITROPHENYLACETYL-EPSILON- AMINOCAPROIC ACID ANION	H,I,J	1A6V	0.76
CL8	CHLORAMPHENICOL SUCCINATE	A,B,C,D,E,F	2JKN	0.76
PNB	4-NITRO-BENZYLPHOSPHONOBUTANOYL- GLYCINE	A,L	1YED	0.75
PNB	4-NITRO-BENZYLPHOSPHONOBUTANOYL- GLYCINE	H,L	1YEC	0.75
PNB	4-NITRO-BENZYLPHOSPHONOBUTANOYL- GLYCINE	H	1YEE	0.75
NIP	4-HYDROXY-5-IODO-3-NITROPHENYLACETYL- EPSILON-AMINOCAPROIC ACID ANION	H	1A6W	0.75
GAB	3-AMINOBENZOIC ACID	A,B,C,D,E,F	2PQF	0.75
GAB	3-AMINOBENZOIC ACID	A,B	3GSB	0.75
GAB	3-AMINOBENZOIC ACID	A,B,C	1GBN	0.75
GAB	3-AMINOBENZOIC ACID	A	3FHB	0.75
PSA	3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACID	I	1EPL	0.75
PSA	3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACID	A,B,C,D	2IFW	0.75
PSA	3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACID	E,I	1EPM	0.75
EAB	(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B	2H3T	0.74
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
AHC	4-AMINOHYDROCINNAMIC ACID	A,B	2AY1	0.74
BPN	PARANITROBENZYL ALCOHOL	H,L	1YEG	0.74
NTD	2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE- 1,3-DIONE	A,B	1T47	0.73
KYN	KYNURENINE	A,B,C,D	2R2N	0.73
KYN	KYNURENINE	A,B	3E2Z	0.73
KYN	KYNURENINE	A	1XT7	0.73
KYN	KYNURENINE	A	1T5M	0.73
KYN	KYNURENINE	A	1T5N	0.73
KYN	KYNURENINE	A	2VOV	0.73
KYN	KYNURENINE	A	2VOX	0.73
PG9	D-PHENYLGLYCINE	A,B,G,H	10GS	0.72
PG9	D-PHENYLGLYCINE	A,B,C,D	2B4K	0.72
DTY	D-TYROSINE	A	1C4B	0.71
DTY	D-TYROSINE	A,L	1ZEA	0.71
DTY	D-TYROSINE	A,B,C,D,E,F, G,H	1OF6	0.71
DTY	D-TYROSINE	A,B	1UNO	0.71
DTY	D-TYROSINE	A	2IGZ	0.71
DTY	D-TYROSINE	A,B,C,H,K,L	2R5D	0.71
DTY	D-TYROSINE	A,B	2Q33	0.71
DTY	D-TYROSINE	H,S	2H9E	0.71
DTY	D-TYROSINE	A,B,C,H,K,L	2R5B	0.71
DTY	D-TYROSINE	A	2IH0	0.71
DTY	D-TYROSINE	A	1D7T	0.71
DTY	D-TYROSINE	A,B	1XA0	0.71
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A	1DSR	0.71
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H	1W7R	0.71
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1W7Q	0.71
BE2	2-AMINOBENZOIC ACID	A,B,C,D,E,F, G,H	1F8S	0.71
BE2	2-AMINOBENZOIC ACID	E,I	1ZFP	0.71
BE2	2-AMINOBENZOIC ACID	A,B	2HU8	0.71
BE2	2-AMINOBENZOIC ACID	A,B	1AN9	0.71
BE2	2-AMINOBENZOIC ACID	A,B,C,D	2GVQ	0.71
BE2	2-AMINOBENZOIC ACID	A,B	2YR6	0.71
BE2	2-AMINOBENZOIC ACID	A,I	1E8N	0.71
BE2	2-AMINOBENZOIC ACID	A,B,C,D	1ZYK	0.71
BE2	2-AMINOBENZOIC ACID	A	1C0I	0.71
BE2	2-AMINOBENZOIC ACID	A,B	2JB3	0.71
BE2	2-AMINOBENZOIC ACID	A,B,C,D	2E4A	0.71
M09	(3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)- 3-(4-nitrophenyl)-1,6-dioxa-2-azaspiro[4.5]decane- 8,9,10-triol	A	2QRM	0.71
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
HNT	[(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN- 3-YL]METHANOL	A,B	2G70	0.71
SOA	ISATOIC ANHYDRIDE	A	1BIO	0.71
2TY	2-HYDROXY-5-{[(1E)-2-PHENYLETHYLIDENE]AMINO}- L-TYROSINE	A,B	2CWV	0.71
DGH	(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1W7Q	0.71
DGH	(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H	1W7R	0.71
PNC	PARA-NITROBENZYL GLUTARYL GLYCINIC ACID	L	1YEF	0.71
MNB	5-MERCAPTO-2-NITRO-BENZOIC ACID	A	1F42	0.71
MNB	5-MERCAPTO-2-NITRO-BENZOIC ACID	A	1RXE	0.71
MNB	5-MERCAPTO-2-NITRO-BENZOIC ACID	A	2PER	0.71
GHP	4-HYDROXYPHENYLGLYCINE	A	1DSR	0.71
CLK	ALPHA-N-DICHLOROACETYL-P-AMINOPHENYLSERINOL	A	1GRQ	0.71
RNO	(R)-PARA-NITROSTYRENE OXIDE	A,B,C,D	1ZMT	0.7
1PA	PHENYLMETHYLACETIC ACID ALANINE	I	1BHF	0.7
MAZ	FORMIC ACID 3-AMINO-BENZYL ESTER	H,L	1JYQ	0.7
PTH	CE1-METHYLENE-HYDROXY-PHOSPHOTYROSINE	C,D	1A09	0.7
PTH	CE1-METHYLENE-HYDROXY-PHOSPHOTYROSINE	C,D	1A1A	0.7
SNO	(S)-PARA-NITROSTYRENE OXIDE	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	1ZO8	0.7