MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00005625

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
1ZN	(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy- 2,6,8-trimethyl-10-phenyldeca-4,6- dienoic acid	C,F,M,N	2IAE	0.7
ISO	PARA-ISOPROPYLANILINE	A	1BMA	0.73
ISO	PARA-ISOPROPYLANILINE	A,B	1ELC	0.73
ISO	PARA-ISOPROPYLANILINE	A,B	1ELB	0.73
ISO	PARA-ISOPROPYLANILINE	A,B	1ELA	0.73
GAB	3-AMINOBENZOIC ACID	A,B,C,D,E,F	2PQF	0.79
GAB	3-AMINOBENZOIC ACID	A,B	3GSB	0.79
GAB	3-AMINOBENZOIC ACID	A,B,C	1GBN	0.79
GAB	3-AMINOBENZOIC ACID	A	3FHB	0.79
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
U14	3-(5-AMINO-3-IMINO-3H-PYRAZOL-4- YLAZO)-BENZOIC ACID	A	2GG7	0.71
AAN	2-(4-NITROPHENYL)ACETIC ACID	B	1AJN	0.82
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
MCG	(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE	A,B	1ISS	0.72
PRQ	(3S)-3-amino-3-(2-nitrophenyl)propanoic acid	C,F,I,L	2VE6	0.73
ICU	METHYL(2-ACETOXY-2-(2-CARBOXY-4- AMINO-PHENYL))ACETATE	A	1JIM	0.73
LLG	2-aminoethyl naphthalen-1-ylacetate	A	3BC4	0.71
AO2	N'-(2S,3R)-3-AMINO-4-CYCLOHEXYL- 2-HYDROXY-BUTANO-N-(4-METHYLPHENYL)HYDRAZIDE	A	1R5H	0.71
TYZ	PARA ACETAMIDO BENZOIC ACID	B,C	2BNI	0.74
TYZ	PARA ACETAMIDO BENZOIC ACID	A	1W5K	0.74
TYZ	PARA ACETAMIDO BENZOIC ACID	A	1W5J	0.74
4MB	4-[(METHYLSULFONYL)AMINO]BENZOIC ACID	A,B	2HDS	0.76
34A	3,4-DIMETHYLANILINE	A	1L4K	0.73
PG9	D-PHENYLGLYCINE	A,B,G,H	10GS	0.77
PG9	D-PHENYLGLYCINE	A,B,C,D	2B4K	0.77
3AB	3-aminobenzamide	A,B,C,D	3GOY	0.74
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	0.73
4NB	4-NITROBENZOIC ACID	A,B	3CHT	0.71
MAZ	FORMIC ACID 3-AMINO-BENZYL ESTER	H,L	1JYQ	0.8
4PH	4-methyl-L-phenylalanine	B,C	3BV9	0.73
L98	(2R)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)- 3-SULFANYLPROPANOIC ACID	A,B,C	1ZG8	0.7
MPQ	N-METHYL-ALPHA-PHENYL-GLYCINE	D	1D6E	0.74
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
PAB	4-AMINOBENZOIC ACID	A	1PBD	0.79
PAB	4-AMINOBENZOIC ACID	B	2DZA	0.79
PAB	4-AMINOBENZOIC ACID	A	1IUS	0.79
PAB	4-AMINOBENZOIC ACID	A	1IUU	0.79
PAB	4-AMINOBENZOIC ACID	A	1IUT	0.79
AZY	3-AZIDO-L-TYROSINE	A	2YXN	0.71
0A9	methyl L-phenylalaninate	A	1AY2	0.77
0A9	methyl L-phenylalaninate	I	5ER1	0.77
0A9	methyl L-phenylalaninate	I,P	1HDT	0.77
PRY	2-PROPYL-ANILINE	A	1OWY	0.74
ZAE	N-methyl-D-phenylalanine	H,I,R	1TBZ	0.7
3UN	(4-{4-[(TERT-BUTOXYCARBONYL)AMINO]- 2,2-BIS(ETHOXYCARBONYL)BUTYL}PHENYL)SULFAMIC ACID	A	2H03	0.72
CBL	CHLORAMBUCIL	A,B	3CSJ	0.73
PPN	PARA-NITROPHENYLALANINE	I	1YTJ	0.78
SOA	ISATOIC ANHYDRIDE	A	1BIO	0.74
GBS	4-GUANIDINOBENZOIC ACID	X	2AH4	0.7
GBS	4-GUANIDINOBENZOIC ACID	A	1GBT	0.7
GBS	4-GUANIDINOBENZOIC ACID	A	1RTK	0.7
GBS	4-GUANIDINOBENZOIC ACID	A	3DFL	0.7
MNP	2-(3-NITROPHENYL)ACETIC ACID	B	1AI5	0.77
MEA	N-METHYLPHENYLALANINE	A	2PIL	0.7
MEA	N-METHYLPHENYLALANINE	A,B,C,D	1H0I	0.7
MEA	N-METHYLPHENYLALANINE	A,B,I	1DOJ	0.7
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A,B,M,N	1FJM	0.73
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVA	0.73
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1LCM	0.73
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A,B,C,D,E,F, G,H	2NYM	0.73
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	C,I	2IE3	0.73
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	C,F,X,Y	2NPP	0.73
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVC	0.73
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	C,F,G,H	3DW8	0.73
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A,B,C,D,E,F, G,H	2NYL	0.73
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVD	0.73
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVB	0.73
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
XP1	4-(DIMETHYLAMINO)BENZOIC ACID	A,B	2VJ1	0.73
XP1	4-(DIMETHYLAMINO)BENZOIC ACID	A	2V6N	0.73
A41	5-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACID	A	1YW7	0.7
MFD	(2S,3S,8S,9S)-3-AMINO-9-METHOXY- 2,6,8-TRIMETHYL-10-PHENYLDECA-4,6- DIENOIC ACID	A	1AY3	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
BE2	2-AMINOBENZOIC ACID	A,B,C,D,E,F, G,H	1F8S	0.78
BE2	2-AMINOBENZOIC ACID	E,I	1ZFP	0.78
BE2	2-AMINOBENZOIC ACID	A,B	2HU8	0.78
BE2	2-AMINOBENZOIC ACID	A,B	1AN9	0.78
BE2	2-AMINOBENZOIC ACID	A,B,C,D	2GVQ	0.78
BE2	2-AMINOBENZOIC ACID	A,B	2YR6	0.78
BE2	2-AMINOBENZOIC ACID	A,I	1E8N	0.78
BE2	2-AMINOBENZOIC ACID	A,B,C,D	1ZYK	0.78
BE2	2-AMINOBENZOIC ACID	A	1C0I	0.78
BE2	2-AMINOBENZOIC ACID	A,B	2JB3	0.78
BE2	2-AMINOBENZOIC ACID	A,B,C,D	2E4A	0.78
IOY	P-IODO-D-PHENYLALANINE	A	1XBU	0.71
IBR		A	9EST	0.85
2UN	{4-[2-BENZYL-3-METHOXY-2-(METHOXYCARBONYL)- 3-OXOPROPYL]PHENYL}SULFAMIC ACID	A,B	2H02	0.8
KYN	KYNURENINE	A,B,C,D	2R2N	0.75
KYN	KYNURENINE	A,B	3E2Z	0.75
KYN	KYNURENINE	A	1XT7	0.75
KYN	KYNURENINE	A	1T5M	0.75
KYN	KYNURENINE	A	1T5N	0.75
KYN	KYNURENINE	A	2VOV	0.75
KYN	KYNURENINE	A	2VOX	0.75
APD	3-METHYLPHENYLALANINE	A,B,C	1GMY	0.73
PAC	2-PHENYLACETIC ACID	B	1PNL	0.7
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.7
PAC	2-PHENYLACETIC ACID	B	1FXH	0.7
PAC	2-PHENYLACETIC ACID	A	2ISF	0.7
PAC	2-PHENYLACETIC ACID	A	2INE	0.7
UA5	(4-ETHYLPHENYL)SULFAMIC ACID	A,B	2I5X	0.73
XYD	2,5-DIMETHYLANILINE	A,B,C,D	1KYA	0.71
XYD	2,5-DIMETHYLANILINE	A	1L4L	0.71
ZAB	(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B	2H3S	0.81
ZAB	(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B,C,D	2H4B	0.81
AHC	4-AMINOHYDROCINNAMIC ACID	A,B	2AY1	0.9
EAB	(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B	2H3T	0.81
HMF	2-AMINO-4-PHENYL-BUTYRIC ACID	I,J	1AY6	0.71
HPE	HOMOPHENYLALANINE	A,B	1B1H	0.71