MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03450906

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
4A3	4-AMINO-3-HYDROXYBENZOIC ACID	A,B	2HDR	0.74
APA	AMIDO PHENYL PYRUVIC ACID	H,I	1AHT	0.7
APA	AMIDO PHENYL PYRUVIC ACID	A,B,C,D	1A0L	0.7
APA	AMIDO PHENYL PYRUVIC ACID	A	1TPP	0.7
GBS	4-GUANIDINOBENZOIC ACID	X	2AH4	0.76
GBS	4-GUANIDINOBENZOIC ACID	A	1GBT	0.76
GBS	4-GUANIDINOBENZOIC ACID	A	1RTK	0.76
GBS	4-GUANIDINOBENZOIC ACID	A	3DFL	0.76
KYN	KYNURENINE	A,B,C,D	2R2N	0.76
KYN	KYNURENINE	A,B	3E2Z	0.76
KYN	KYNURENINE	A	1XT7	0.76
KYN	KYNURENINE	A	1T5M	0.76
KYN	KYNURENINE	A	1T5N	0.76
KYN	KYNURENINE	A	2VOV	0.76
KYN	KYNURENINE	A	2VOX	0.76
1PA	PHENYLMETHYLACETIC ACID ALANINE	I	1BHF	0.74
PFF	4-FLUORO-L-PHENYLALANINE	A	3F3C	0.71
PFF	4-FLUORO-L-PHENYLALANINE	A,C,E,F	2UUE	0.71
PFF	4-FLUORO-L-PHENYLALANINE	A	1ZNT	0.71
PFF	4-FLUORO-L-PHENYLALANINE	F,H	1OL1	0.71
PFF	4-FLUORO-L-PHENYLALANINE	A,C,F,H	2C5V	0.71
PFF	4-FLUORO-L-PHENYLALANINE	E,F	1OL2	0.71
MCG	(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE	A,B	1ISS	0.7
APD	3-METHYLPHENYLALANINE	A,B,C	1GMY	0.71
IBR		A	9EST	0.76
MPQ	N-METHYL-ALPHA-PHENYL-GLYCINE	D	1D6E	0.72
OFL	O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID	A	1DVZ	0.7
PPN	PARA-NITROPHENYLALANINE	I	1YTJ	0.79
GEP	N-METHYL-N-(PARA-GLUTARAMIDOPHENYL- ETHYL)-PIPERIDINIUM ION	L	25C8	0.72
NPA	2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID	H	1NGP	0.72
KY1	4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID	A,B,C,D	2CH2	0.79
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY5	0.7
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY8	0.7
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY9	0.7
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XXZ	0.7
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY4	0.7
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY6	0.7
ST6	4-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACID	A,B	1INH	0.77
DGH	(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1W7Q	0.7
DGH	(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H	1W7R	0.7
PG9	D-PHENYLGLYCINE	A,B,G,H	10GS	0.77
PG9	D-PHENYLGLYCINE	A,B,C,D	2B4K	0.77
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBC	0.74
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBF	0.74
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1SXK	0.74
HPE	HOMOPHENYLALANINE	A,B	1B1H	0.72
2UN	{4-[2-BENZYL-3-METHOXY-2-(METHOXYCARBONYL)- 3-OXOPROPYL]PHENYL}SULFAMIC ACID	A,B	2H02	0.73
PAC	2-PHENYLACETIC ACID	B	1PNL	0.71
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.71
PAC	2-PHENYLACETIC ACID	B	1FXH	0.71
PAC	2-PHENYLACETIC ACID	A	2ISF	0.71
PAC	2-PHENYLACETIC ACID	A	2INE	0.71
AAN	2-(4-NITROPHENYL)ACETIC ACID	B	1AJN	0.81
HMF	2-AMINO-4-PHENYL-BUTYRIC ACID	I,J	1AY6	0.72
PHI	IODO-PHENYLALANINE	A	1TF9	0.71
PHI	IODO-PHENYLALANINE	A,B,C,D	1ORW	0.71
PHI	IODO-PHENYLALANINE	A	1T6H	0.71
PHI	IODO-PHENYLALANINE	A,B,C	1NLU	0.71
PHI	IODO-PHENYLALANINE	A,I	1GA1	0.71
PHI	IODO-PHENYLALANINE	A,I	1GA4	0.71
PHI	IODO-PHENYLALANINE	P	1CZI	0.71
SX1	2-amino-5-bromobenzoic acid	A,B	3CIZ	0.71
TY2	3-AMINO-L-TYROSINE	A,B	2VH3	0.75
TYZ	PARA ACETAMIDO BENZOIC ACID	B,C	2BNI	0.78
TYZ	PARA ACETAMIDO BENZOIC ACID	A	1W5K	0.78
TYZ	PARA ACETAMIDO BENZOIC ACID	A	1W5J	0.78
FOG	(4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acid	I	1EED	0.72
GHP	4-HYDROXYPHENYLGLYCINE	A	1DSR	0.7
3AB	3-aminobenzamide	A,B,C,D	3GOY	0.73
L98	(2R)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)- 3-SULFANYLPROPANOIC ACID	A,B,C	1ZG8	0.78
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
DPN	D-PHENYLALANINE	P	1MCS	0.73
DPN	D-PHENYLALANINE	A	1GOE	0.73
DPN	D-PHENYLALANINE	A	2RM9	0.73
DPN	D-PHENYLALANINE	A	1SOC	0.73
DPN	D-PHENYLALANINE	B,C,E,F	1SFQ	0.73
DPN	D-PHENYLALANINE	I	1ABJ	0.73
DPN	D-PHENYLALANINE	P	1DWE	0.73
DPN	D-PHENYLALANINE	I,M	1HLT	0.73
DPN	D-PHENYLALANINE	A,H,L	1J9C	0.73
DPN	D-PHENYLALANINE	I,T	1TMB	0.73
DPN	D-PHENYLALANINE	A	2JRY	0.73
DPN	D-PHENYLALANINE	A	2SOC	0.73
DPN	D-PHENYLALANINE	A	2YYF	0.73
DPN	D-PHENYLALANINE	I	2HGT	0.73
DPN	D-PHENYLALANINE	A,D	2Q3I	0.73
DPN	D-PHENYLALANINE	A,P	1MCD	0.73
DPN	D-PHENYLALANINE	P	1HAO	0.73
DPN	D-PHENYLALANINE	A,B,I	1Z8J	0.73
DPN	D-PHENYLALANINE	A,B,C	2PGQ	0.73
DPN	D-PHENYLALANINE	C,D,H,I,L,M, X,Y	1DVA	0.73
DPN	D-PHENYLALANINE	P	1NRR	0.73
DPN	D-PHENYLALANINE	I	1PPB	0.73
DPN	D-PHENYLALANINE	C,D,G,H	1NU7	0.73
DPN	D-PHENYLALANINE	I	2HPP	0.73
DPN	D-PHENYLALANINE	B,C	2OD3	0.73
DPN	D-PHENYLALANINE	A	1B0Q	0.73
DPN	D-PHENYLALANINE	B,C,E,F	1NU9	0.73
DPN	D-PHENYLALANINE	A,B,I	1Z8I	0.73
DPN	D-PHENYLALANINE	H,I,J	1TMU	0.73
DPN	D-PHENYLALANINE	A,B,C,D,E,F	2DNS	0.73
DPN	D-PHENYLALANINE	A	1GO9	0.73
DPN	D-PHENYLALANINE	B,C,E,F	1A0H	0.73
DPN	D-PHENYLALANINE	P	1MCF	0.73
DPN	D-PHENYLALANINE	A	2RME	0.73
DPN	D-PHENYLALANINE	H,I	1TMT	0.73
DPN	D-PHENYLALANINE	I	1ABI	0.73
DPN	D-PHENYLALANINE	R	1NRQ	0.73
DPN	D-PHENYLALANINE	B,C,F,G	2A1D	0.73
DPN	D-PHENYLALANINE	A,B	2Q33	0.73
DPN	D-PHENYLALANINE	C,H,L	1DAN	0.73
DPN	D-PHENYLALANINE	P	1MCE	0.73
DPN	D-PHENYLALANINE	B,C,E,F	2A45	0.73
DPN	D-PHENYLALANINE	A	2RMI	0.73
DPN	D-PHENYLALANINE	A,B,I	1TQ7	0.73
DPN	D-PHENYLALANINE	A	1W7M	0.73
DPN	D-PHENYLALANINE	P	1HAP	0.73
DPN	D-PHENYLALANINE	A,B	1ORF	0.73
DPN	D-PHENYLALANINE	I	1IHS	0.73
DPN	D-PHENYLALANINE	P	1MCC	0.73
DPN	D-PHENYLALANINE	A	2RMD	0.73
DPN	D-PHENYLALANINE	A	2JQB	0.73
DPN	D-PHENYLALANINE	I	2HPQ	0.73
DPN	D-PHENYLALANINE	C,E,F	1SHH	0.73
DPN	D-PHENYLALANINE	A,I	1CVR	0.73
DPN	D-PHENYLALANINE	L,P	1AUT	0.73
DPN	D-PHENYLALANINE	P	1MCI	0.73
DPN	D-PHENYLALANINE	H,I	3F6U	0.73
DPN	D-PHENYLALANINE	A	1BFW	0.73
DPN	D-PHENYLALANINE	H,I	1HAI	0.73
DPN	D-PHENYLALANINE	B,C	2THF	0.73
DPN	D-PHENYLALANINE	I	1IHT	0.73
DPN	D-PHENYLALANINE	A,P	1MCJ	0.73
DPN	D-PHENYLALANINE	A	1TKH	0.73
DPN	D-PHENYLALANINE	C,H,L,T	2FIR	0.73
DPN	D-PHENYLALANINE	A	2FMZ	0.73
DPN	D-PHENYLALANINE	A	1YL9	0.73
DPN	D-PHENYLALANINE	I	1HUT	0.73
DPN	D-PHENYLALANINE	I	1FXY	0.73
DPN	D-PHENYLALANINE	A	1YL8	0.73
DPN	D-PHENYLALANINE	C,H,L	1QFK	0.73
DPN	D-PHENYLALANINE	P	1MCB	0.73
AHC	4-AMINOHYDROCINNAMIC ACID	A,B	2AY1	0.89
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
4MB	4-[(METHYLSULFONYL)AMINO]BENZOIC ACID	A,B	2HDS	0.8
GAB	3-AMINOBENZOIC ACID	A,B,C,D,E,F	2PQF	0.8
GAB	3-AMINOBENZOIC ACID	A,B	3GSB	0.8
GAB	3-AMINOBENZOIC ACID	A,B,C	1GBN	0.8
GAB	3-AMINOBENZOIC ACID	A	3FHB	0.8
CBL	CHLORAMBUCIL	A,B	3CSJ	0.73
SOA	ISATOIC ANHYDRIDE	A	1BIO	0.71
ST3	4-(ACETYLAMINO)-3-AMINO BENZOIC ACID	A,B	1IVE	0.8
BE2	2-AMINOBENZOIC ACID	A,B,C,D,E,F, G,H	1F8S	0.77
BE2	2-AMINOBENZOIC ACID	E,I	1ZFP	0.77
BE2	2-AMINOBENZOIC ACID	A,B	2HU8	0.77
BE2	2-AMINOBENZOIC ACID	A,B	1AN9	0.77
BE2	2-AMINOBENZOIC ACID	A,B,C,D	2GVQ	0.77
BE2	2-AMINOBENZOIC ACID	A,B	2YR6	0.77
BE2	2-AMINOBENZOIC ACID	A,I	1E8N	0.77
BE2	2-AMINOBENZOIC ACID	A,B,C,D	1ZYK	0.77
BE2	2-AMINOBENZOIC ACID	A	1C0I	0.77
BE2	2-AMINOBENZOIC ACID	A,B	2JB3	0.77
BE2	2-AMINOBENZOIC ACID	A,B,C,D	2E4A	0.77
4PH	4-methyl-L-phenylalanine	B,C	3BV9	0.71
AZY	3-AZIDO-L-TYROSINE	A	2YXN	0.74
ZAB	(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B	2H3S	0.9
ZAB	(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B,C,D	2H4B	0.9
PAB	4-AMINOBENZOIC ACID	A	1PBD	0.85
PAB	4-AMINOBENZOIC ACID	B	2DZA	0.85
PAB	4-AMINOBENZOIC ACID	A	1IUS	0.85
PAB	4-AMINOBENZOIC ACID	A	1IUU	0.85
PAB	4-AMINOBENZOIC ACID	A	1IUT	0.85
P20	2-(5-{[AMINO(IMINO)METHYL]AMINO}- 2-CHLOROPHENYL)-3-SULFANYLPROPANOIC ACID	A,B,C	1ZG7	0.72
DIF	2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID	A,B	3CFQ	0.72
DIF	2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID	A	1SV9	0.72
DIF	2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID	A	1NR6	0.72
DIF	2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID	A	3HWV	0.72
DIF	2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID	B	1DVX	0.72
DIF	2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID	A	2B6D	0.72
DIF	2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID	A,B,C,D	1PXX	0.72
DIF	2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID	A	2B17	0.72
606	(2S)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)- 3-[(S)-HYDROXY(3-PHENYLPROPYL)PHOSPHORYL]PROPANOIC ACID	A,B,C	2PIZ	0.73
PRQ	(3S)-3-amino-3-(2-nitrophenyl)propanoic acid	C,F,I,L	2VE6	0.8
MAZ	FORMIC ACID 3-AMINO-BENZYL ESTER	H,L	1JYQ	0.72
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A	1DSR	0.7
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H	1W7R	0.7
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1W7Q	0.7
NOX	N-(PARA-GLUTARAMIDOPHENYL-ETHYL)- PIPERIDINIUM-N-OXIDE	L	35C8	0.71
EAB	(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B	2H3T	0.9
IOY	P-IODO-D-PHENYLALANINE	A	1XBU	0.71
150	4,5-DIMETHYL-1,2-PHENYLENEDIAMINE	A	1L4F	0.71
CXA	PHENYLALANINE-N-SULFONAMIDE	A	1IY7	0.71
XP1	4-(DIMETHYLAMINO)BENZOIC ACID	A,B	2VJ1	0.77
XP1	4-(DIMETHYLAMINO)BENZOIC ACID	A	2V6N	0.77
3B4	2-(cyclohexylamino)benzoic acid	A,B	3B4P	0.7
U14	3-(5-AMINO-3-IMINO-3H-PYRAZOL-4- YLAZO)-BENZOIC ACID	A	2GG7	0.75
FDI	4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACID	A	1B9S	0.78
ST5	4-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACID	A,B	1ING	0.76
ST4	4-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACID	A	1INF	0.76
ICU	METHYL(2-ACETOXY-2-(2-CARBOXY-4- AMINO-PHENYL))ACETATE	A	1JIM	0.71
4NB	4-NITROBENZOIC ACID	A,B	3CHT	0.77
MNP	2-(3-NITROPHENYL)ACETIC ACID	B	1AI5	0.85