MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00012256

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
HBX	benzaldehyde	A,B	3GDN	0.92
LEG	1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE	A,B	2PIN	0.91
1LP	TRANYLCYPROMINE	A,B	1OJB	0.9
AC0	1-PHENYLETHANONE	A	1ZK1	0.9
AC0	1-PHENYLETHANONE	A	1ZK4	0.9
HY1	PHENYLACETALDEHYDE	D,H	2I0S	0.89
HY1	PHENYLACETALDEHYDE	A,B	1D6Y	0.89
HY1	PHENYLACETALDEHYDE	A,B	1D6Z	0.89
HY1	PHENYLACETALDEHYDE	D,H	2OK4	0.89
HY1	PHENYLACETALDEHYDE	A,B	1D6U	0.89
3PL	3-PHENYLPROPANAL	E	1Y3G	0.88
BP4	BIPHENYL-4-YL-ACETALDEHYDE	A,B,E,F,G,H	1MHW	0.87
BZQ	DIPHENYLMETHANONE	A,B	1GT5	0.86
BZQ	DIPHENYLMETHANONE	A,B	1DZP	0.86
VK3	MENADIONE	A	1TUV	0.81
VK3	MENADIONE	A,B	2QR2	0.81
DMW	2,3-DIMETHYL-1,4-NAPHTHOQUINONE	A,B,C,D,E,F	2BS4	0.81
PQN	PHYLLOQUINONE	A,B,C,F,I,J, K,L,M,X	1JB0	0.79
PQN	PHYLLOQUINONE	1,2,3,4,A,B, C,F,G,H,I,J, K,L	2O01	0.79
PQN	PHYLLOQUINONE	A,B,C,F,K,L	2PPS	0.79
PQN	PHYLLOQUINONE	A,B,C,F,K,L	1C51	0.79
PQN	PHYLLOQUINONE	0,1,2,3,4,5, 6,7,8,9,A,B, C,F,G,H,J,K, L,P,Q,R,U,V, W,Z	1QZV	0.79
HPK	(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE	A	2PUH	0.79
MQ7	MENAQUINONE-7	C,H,L,M	1PRC	0.79
MQ7	MENAQUINONE-7	A,B,D,M,N,P	2B76	0.79
MQ7	MENAQUINONE-7	C,H,L,M	5PRC	0.79
MQ7	MENAQUINONE-7	C,H,L,M	7PRC	0.79
MQ7	MENAQUINONE-7	C,H,L,M	2PRC	0.79
MQ7	MENAQUINONE-7	C,H,L,M	1R2C	0.79
MQ7	MENAQUINONE-7	A,B,C,E,F,G	2VPW	0.79
MQ7	MENAQUINONE-7	C,H,L,M	3PRC	0.79
MQ7	MENAQUINONE-7	A,B,D,M,N,O,P	1L0V	0.79
MQ7	MENAQUINONE-7	C,H,L,M	2JBL	0.79
MQ7	MENAQUINONE-7	C,H,L,M	6PRC	0.79
MQ9	MENAQUINONE-9	C,H,L,M	3D38	0.79
MQ9	MENAQUINONE-9	C,H,L,M	1VRN	0.79
MQ9	MENAQUINONE-9	C,H,L,M	2I5N	0.79
MQ9	MENAQUINONE-9	C,H,L,M,U	1DXR	0.79
MQ8	MENAQUINONE 8	C,H,L,M	1EYS	0.79
9TA	1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE	A,B	1FDG	0.78
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	2OK9	0.78
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	1Z76	0.78
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A	1BK9	0.78
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.75
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.73
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.73
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.73
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.73
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.73
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.73
HPX	(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A,B,C,D	2DSA	0.73
4MA	4-METHYLBENZOIC ACID	A,H	2HRG	0.73
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
HPZ	(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A	2PUJ	0.73
ANQ	ACENAPHTHENEQUINONE	H,J	1OAX	0.73
I4B	ISOBUTYLBENZENE	A	184L	0.72
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.72
PXY	PARA-XYLENE	A	187L	0.72
PXY	PARA-XYLENE	A	225L	0.72
FPR	PROPYLBENZENE	C	1RHK	0.72
IBP	IBUPROFEN	A	3FKX	0.72
IBP	IBUPROFEN	A,B	2BXG	0.72
IBP	IBUPROFEN	A,B	1EQG	0.72
IBP	IBUPROFEN	A,B,C	2WD9	0.72
IBP	IBUPROFEN	A	2PWS	0.72
173	BENZOYL-FORMIC ACID	A,B	1SZE	0.72
N4B	N-BUTYLBENZENE	A	186L	0.72
PYL	PHENYLETHANE	C	1B07	0.72
PYL	PHENYLETHANE	A,B	2VRM	0.72
PYL	PHENYLETHANE	A	1NHB	0.72
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
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	0.71
C1E	(2Z,4E)-3-chloro-2-hydroxy-6-oxo- 6-phenylhexa-2,4-dienoic acid	A	2RHT	0.71
CIN	4-CARBOXYCINNAMIC ACID	A,B,C,D	1HAB	0.71
CIN	4-CARBOXYCINNAMIC ACID	A,B	1T6J	0.71
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.71
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.71
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.71
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.71
HCI	HYDROCINNAMIC ACID	A	1TOI	0.71
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.71
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.71
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.71
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.71
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.71
OXE	ORTHO-XYLENE	A,B	3E0X	0.7
OXE	ORTHO-XYLENE	A	188L	0.7
HPQ	HOMOPHENYLALANINYLMETHANE	B	1EWP	0.7
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.7
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.7
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.7
BZM	BENZOIC ACID PHENYLMETHYLESTER	A,B	1DZM	0.7
BFL		A,B	1Q4G	0.7
C0E	3-fluoro-6-(4-fluorophenyl)-2-hydroxy- 6-oxohexa-2,4-dienoic acid	A	2RHW	0.7
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.7